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Basic Description
| Synonyms | MFCD09038547 | NCI60_035932 | AMY10987 | AKOS016003406 | Q0079 | YSWG770 | T72629 | NSC700150 | NSC-700150 | 2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene | DTXSID70327897 | A913371 | 2,5-bis(5-thiophen-2-ylthiophen-2-yl)thiophene | alpha-Quinquethioph |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Bi- and oligothiophenes
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Bi- and oligothiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bi- and oligothiophenes |
| Alternative Parents | 2,5-disubstituted thiophenes Heteroaromatic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bithiophene - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. |
| External Descriptors | Not available |
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Associated Targets(Human)
A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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NCI/ADR-RES (33767 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-92 (41141 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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MDA-N (28205 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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SF-539 (44845 Activities)
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SR (39847 Activities)
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SW-620 (52400 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504758630 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758630 |
| IUPAC Name | 2,5-bis(5-thiophen-2-ylthiophen-2-yl)thiophene |
| INCHI | InChI=1S/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-6-16(24-18)14-4-2-12-22-14/h1-12H |
| InChIKey | YFBLUJZFRBFQMR-UHFFFAOYSA-N |
| Smiles | C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=CS5 |
| Isomeric SMILES | C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=CS5 |
| PubChem CID | 395508 |
| Molecular Weight | 412.64 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2307069 |
Certificate of Analysis | Aug 10, 2023 | Q355571 |
| I2307179 |
Certificate of Analysis | Aug 10, 2023 | Q355571 |
| I2307068 |
Certificate of Analysis | Aug 10, 2023 | Q355571 |
| I2307178 |
Certificate of Analysis | Aug 10, 2023 | Q355571 |
Chemical and Physical Properties
| Melt Point(°C) | 253℃ |
|---|---|
| Molecular Weight | 412.600 g/mol |
| XLogP3 | 7.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 411.954 Da |
| Monoisotopic Mass | 411.954 Da |
| Topological Polar Surface Area | 141.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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