Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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O173511-5mg
|
5mg |
3
|
$64.90
|
|
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O173511-10mg
|
10mg |
3
|
$103.90
|
|
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O173511-25mg
|
25mg |
2
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$189.90
|
|
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O173511-50mg
|
50mg |
2
|
$234.90
|
|
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O173511-100mg
|
100mg |
2
|
$365.90
|
|
|
O173511-250mg
|
250mg |
2
|
$823.90
|
|
| Synonyms | Example 1 [US20130116213] | DTXSID001319119 | FT-0615010 | SOTALOL HYDROCHLORIDE (USP-RS) | 4-{[4-({[(1R,2S)-2-Phenylcyclopropyl]amino}methyl)-1-piperidinyl]methyl}benzoic acid | EX-A879 | 2-Amino-5-chloropyridine, purum, >=98.0% (NT) | FDMQDKQUTRLUBU-UHF |
|---|---|
| Specifications & Purity | Moligand™, ≥97% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | Epidermal growth factor receptor erbB1 inhibitor |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Diarylethers Anilides Thienopyrimidines Aniline and substituted anilines Dialkylarylamines N-arylamides Phenol ethers Phenoxy compounds N-methylpiperazines Aminopyrimidines and derivatives Heteroaromatic compounds Thiophenes Acrylic acids and derivatives Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Secondary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Diaryl ether - Thienopyrimidine - Anilide - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Acrylic acid or derivatives - Thiophene - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Ether - Carboxylic acid derivative - Secondary amine - Azacycle - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
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| ALogP | 4.7 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 504771392 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771392 |
| IUPAC Name | N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide |
| INCHI | InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30) |
| InChIKey | FDMQDKQUTRLUBU-UHFFFAOYSA-N |
| Smiles | CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4 |
| Isomeric SMILES | CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4 |
| Molecular Weight | 486.59 |
| Reaxy-Rn | 22155143 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22155143&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 09, 2024 | O173511 | |
| Certificate of Analysis | Dec 09, 2024 | O173511 | |
| Certificate of Analysis | Dec 09, 2024 | O173511 | |
| Certificate of Analysis | Dec 09, 2024 | O173511 | |
| Certificate of Analysis | Dec 09, 2024 | O173511 | |
| Certificate of Analysis | Dec 09, 2024 | O173511 |
| Solubility | insoluble in H2O; ≥9.11 mg/mL in EtOH with ultrasonic; ≥96.6 mg/mL in DMSO |
|---|---|
| Molecular Weight | 486.600 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 486.184 Da |
| Monoisotopic Mass | 486.184 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 712.000 |
| 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 |