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WAY-658513 - 10mM in DMSO, high purity , CAS No.692870-25-0
Basic Description
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
inhibitor of ROCK, ERK, GSK, and AGC protein kinases
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylacetamides
Intermediate Tree Nodes
Not available
Direct Parent
Phenylacetamides
Alternative Parents
N-arylamides Fluorobenzenes Chlorobenzenes 2,4-disubstituted thiazoles Pyridines and derivatives Aryl fluorides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylacetamide - N-arylamide - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
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
3.312
HBD Count
1
Rotatable Bond
4
Names and Identifiers
IUPAC Name
2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
INCHI
InChI=1S/C16H11ClFN3OS/c17-12-2-1-3-13(18)11(12)8-15(22)21-16-20-14(9-23-16)10-4-6-19-7-5-10/h1-7,9H,8H2,(H,20,21,22)
InChIKey
BPGUVXHQHDKSTA-UHFFFAOYSA-N
Smiles
C1=CC(=C(C(=C1)Cl)CC(=O)NC2=NC(=CS2)C3=CC=NC=C3)F
Isomeric SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)NC2=NC(=CS2)C3=CC=NC=C3)F
PubChem CID
4826233
Molecular Weight
347.79
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
347.800 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
347.03 Da
Monoisotopic Mass
347.03 Da
Topological Polar Surface Area
83.100 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
411.000
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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