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

CAS: 299405-68-8 Cat. No.: W417489 Formula: C₁₇H₁₃BrN₂OS Molecular Weight: 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

Overview

FabH inhibitors; ecKAS III inhibitors;

Specifications

Synonyms

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: 4.342
• HBD Count: 1
• Rotatable Bond: 4

Names and Identifiers

• Pubchem Sid: 488192084
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192084
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br
• PubChem CID: 2305927
• Molecular Weight: 373.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 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