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WAY-638796 - 10mM in DMSO, high purity , CAS No.796067-64-6
Basic Description
Synonyms
796067-64-6 | 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine | 12-chloro-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene | 4-Chloro-2-(pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
tyrosine kinase inhibitor; inhibiting neoplastic cell growth; phosphodiesterase V inhibitor;
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Thienopyrimidines Halopyrimidines Pyridines and derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridinylpyrimidine - Thienopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Thiophene - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors
Not available
Data sources
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.
Product Properties
ALogP
3.382
Rotatable Bond
1
Names and Identifiers
IUPAC Name
12-chloro-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
INCHI
InChI=1S/C14H10ClN3S/c15-12-11-9-4-1-5-10(9)19-14(11)18-13(17-12)8-3-2-6-16-7-8/h2-3,6-7H,1,4-5H2
InChIKey
XPNAVQIJQPKQIK-UHFFFAOYSA-N
Smiles
C1CC2=C(C1)SC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl
Isomeric SMILES
C1CC2=C(C1)SC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl
PubChem CID
2455016
Molecular Weight
287.76
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
287.800 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
287.028 Da
Monoisotopic Mass
287.028 Da
Topological Polar Surface Area
66.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
343.000
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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