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

CAS: 351993-88-9 Cat. No.: W423570 Summenformel: C₁₃H₁₀Cl₂N₄ Molekulargewicht: 293.15 EG-Nummer: 163-326-3 PubChem CID: 761479

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

RSK2 inhibitors

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

4.409

HBD-Zahl

1

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

528767873

Kanonisches Lächeln

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

Isomere SMILES

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

PubChem CID

761479

Molekulargewicht

293.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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