WAY-632021 - 10mM in DMSO , CAS No.742094-64-0

CAS: 742094-64-0 Cat. No.: W425772 Molecular Weight: 275.7566 EC Number: 174-724-1 PubChem CID: 2427243

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

TIE-2 and Raf kinase inhibitor; phosphodiesterase V inhibitor;

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 3.086
• Rotatable Bond: 1

Names and Identifiers

• Canonical Smiles: CC1=C(SC2=C1C(=NC(=N2)C3=CN=CC=C3)Cl)C
• IUPAC Name: 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
• InChIKey: OKMOUSJGXYXWHP-UHFFFAOYSA-N
• INCHI: 1S/C13H10ClN3S/c1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-4-3-5-15-6-9/h3-6H,1-2H3
• Isomeric SMILES: CC1=C(SC2=C1C(=NC(=N2)C3=CN=CC=C3)Cl)C
• PubChem CID: 2427243
• Molecular Weight: 275.7566

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 275.760 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 275.028 Da
• Monoisotopic Mass: 275.028 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 304.000
• 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