WAY-278705 - 10mM in DMSO , CAS No.476280-90-7

CAS: 476280-90-7 Cat. No.: W424141 Fórmula: C₁₄H₁₅BrN₂OS Peso molecular: 339.25 PubChem CID: 4604615

GRAU & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

phosphoinositide 3-kinase (PI3 kinase) modulators

Especificações

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

4.45

Contagem HBD

1

Ligação rotativa

2

Nomes e identificadores

Pubchem Sid

528767763

Sorrisos canónicos

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br

IUPAC Name

N-(6-bromo-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

InChIKey

KYWBPMHOAGNHSB-UHFFFAOYSA-N

INCHI

1S/C14H15BrN2OS/c15-10-6-7-11-12(8-10)19-14(16-11)17-13(18)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17,18)

SMILES isoméricas

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br

PubChem CID

4604615

Peso molecular

339.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: N-arylamides Benzenoids Aryl bromides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - N-arylamide - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 339.250 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 338.009 Da
• Monoisotopic Mass: 338.009 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 335.000
• 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