WAY-313318 - 10mM in DMSO , CAS No.351993-88-9

CAS: 351993-88-9 Cat. No.: W423570 Fórmula: C₁₃H₁₀Cl₂N₄ Peso molecular: 293.15 Número CE: 163-326-3 PubChem CID: 761479

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

RSK2 inhibitors

Specifications

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

4.409

Contagem HBD

1

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

528767873

Sorrisos canónicos

C1=CC=C2C(=C1)N=NN2CNC3=C(C(=CC=C3)Cl)Cl

IUPAC Name

N-(benzotriazol-1-ylmethyl)-2,3-dichloroaniline

InChIKey

CKZSPQIIOBZZRC-UHFFFAOYSA-N

INCHI

1S/C13H10Cl2N4/c14-9-4-3-6-11(13(9)15)16-8-19-12-7-2-1-5-10(12)17-18-19/h1-7,16H,8H2

SMILES isoméricas

C1=CC=C2C(=C1)N=NN2CNC3=C(C(=CC=C3)Cl)Cl

PubChem CID

761479

Peso molecular

293.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Phenylalkylamines Dichlorobenzenes Secondary alkylarylamines Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - 1,2-dichlorobenzene - Phenylalkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - 1,2,3-triazole - Triazole - Azacycle - Secondary amine - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• 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: 293.150 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 292.028 Da
• Monoisotopic Mass: 292.028 Da
• Topological Polar Surface Area: 42.700 Ų
• Heavy Atom Count: 19
• 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