WAY-352832 - ≥98% , CAS No.299405-68-8

CAS: 299405-68-8 Cat. No.: W417489 Formule: C₁₇H₁₃BrN₂OS Poids moléculaire: 373.27 PubChem CID: 2305927

GRADE & PURITY ≥98%

Synonyms

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

FabH inhibitors; ecKAS III inhibitors;

Specifications

Synonymes

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

• ALogP: 4.342
• Nombre de HBD: 1
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 488192084
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192084
• Sourires canoniques: C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br
• IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• InChIKey: IJLUARLBXWDKER-UHFFFAOYSA-N
• INCHI: 1S/C17H13BrN2OS/c18-14-8-6-13(7-9-14)15-11-22-17(19-15)20-16(21)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
• Isomères SMILES: C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br
• PubChem CID: 2305927
• Poids moléculaire: 373.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: N-arylamides Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - N-arylamide - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

Cibles associées (non humaines)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 373.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 371.993 Da
• Monoisotopic Mass: 371.993 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 368.000
• 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