WAY-301242 - 10mM in DMSO , CAS No.299442-28-7

CAS: 299442-28-7 Cat. No.: W423073 Molecular Weight: 293.36 PubChem CID: 709570

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

bind tubulin, prevent tubulin polymn., inhibit cell growth, arrest cell cycle, cause cell death, or treat cancer or abnormal cell proliferation disorders; altering the lifespan of a eukaryotic organism

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: 3.12
• Rotatable Bond: 4

Names and Identifiers

• Canonical Smiles: CC(C)N(C1=CC=CC=C1)C(=O)CN2C=NC3=CC=CC=C32
• IUPAC Name: 2-(benzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
• InChIKey: NVMGVBOWWKYQPP-UHFFFAOYSA-N
• INCHI: 1S/C18H19N3O/c1-14(2)21(15-8-4-3-5-9-15)18(22)12-20-13-19-16-10-6-7-11-17(16)20/h3-11,13-14H,12H2,1-2H3
• Isomeric SMILES: CC(C)N(C1=CC=CC=C1)C(=O)CN2C=NC3=CC=CC=C32
• PubChem CID: 709570
• Molecular Weight: 293.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Anilides N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Anilide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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: 293.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 293.153 Da
• Monoisotopic Mass: 293.153 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 379.000
• 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