WAY-639621 - 10mM in DMSO , CAS No.794582-71-1

CAS: 794582-71-1 Cat. No.: W426014 Summenformel: C₁₆H₁₃N₃OS₂ Molekulargewicht: 327.42 PubChem CID: 2443231

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

anti-Tuberculosis activity

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

3.23

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

528768324

Kanonisches Lächeln

C1=CC=C(C=C1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=N3

IUPAC Name

2-phenylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

InChIKey

FEKFKURUDDXFPS-UHFFFAOYSA-N

INCHI

1S/C16H13N3OS2/c20-15(11-21-12-6-2-1-3-7-12)19-16-18-14(10-22-16)13-8-4-5-9-17-13/h1-10H,11H2,(H,18,19,20)

Isomere SMILES

C1=CC=C(C=C1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=N3

PubChem CID

2443231

Molekulargewicht

327.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Thiophenol ethers Alkylarylthioethers 2,4-disubstituted thiazoles Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - N-arylamide - Thiophenol ether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organopnictogen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 327.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 327.05 Da
• Monoisotopic Mass: 327.05 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 363.000
• 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