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4-Chlorobenzofuro[3,2-d]pyrimidine - >98.0%(GC), high purity , CAS No.39876-88-5

COA

Grade & Purity:

≥98%(GC)

Cas Number: 39876-88-5
Molecular Weight: 204.61
MDL number: MFCD00763943
PubChem CID: 609295
PubChem SID: 504759523

In stock

Item Number

C153538

Grouped product items
SKU	Size	Availability	Price
C153538-250mg	250mg	3	$28.90
C153538-1g	1g	3	$76.90
C153538-5g	5g	2	$250.90
C153538-25g	25g	1	$1,237.90

View related series

Benzofurans (81) Halogenated heterocyclic block (1171)

Basic Description

Synonyms	4-Chloro-benzo[4,5]furo[3,2-d]pyrimidine \| 4-Chlorobenzo[4,5]furo[3,2-d]pyrimidine \| AM20060884 \| Benzofuro[3,2-d]pyrimidine, 4-chloro- \| ODEFSEY COMPONENT EMTRICITABINE \| C2800 \| NSC760383 \| SMR000176950 \| Pyrimido[5,4-b]benzofurane, 4-chloro- \| SR-01000
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzofurans
Alternative Parents	Halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzofuran - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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U2OS (164939 Activities)

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HEK293 (82097 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

Discover Target: EYA2

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microRNA 21 (64692 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504759523
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759523
IUPAC Name	4-chloro-[1]benzofuro[3,2-d]pyrimidine
INCHI	InChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H
InChIKey	ABRHSRPOYMSBOI-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)Cl
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)Cl
Molecular Weight	204.61
Reaxy-Rn	1075177
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1075177&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
L2214230	Certificate of Analysis	Sep 15, 2022	C153538
C2506775	Certificate of Analysis	Sep 15, 2022	C153538
L2214191	Certificate of Analysis	Sep 15, 2022	C153538
L2213151	Certificate of Analysis	Sep 15, 2022	C153538
L2213434	Certificate of Analysis	Sep 15, 2022	C153538

Chemical and Physical Properties

Melt Point(°C)	146 °C
Molecular Weight	204.610 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	204.009 Da
Monoisotopic Mass	204.009 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	226.000
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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4-Chlorobenzofuro[3,2-d]pyrimidine - >98.0%(GC), high purity , CAS No.39876-88-5

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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