BAS-118 - Moligand™, ≥98% , CAS No.218936-13-1

CAS: 218936-13-1 Cat. No.: B607928 Formule: C₂₀H₁₈N₂O₂ Poids moléculaire: 318.40 PubChem CID: 9883483

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-methyl-3-[(2-naphthalen-2-ylacetyl)amino]benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

N-methyl-3-[(2-naphthalen-2-ylacetyl)amino]benzamide

Spécifications et pureté

Moligand™, ≥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.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528763367
• Sourires canoniques: CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2c(c1)cccc2
• IUPAC Name: N-methyl-3-[(2-naphthalen-2-ylacetyl)amino]benzamide
• InChIKey: VQVCFYIDCWPSNE-UHFFFAOYSA-N
• INCHI: 1S/C20H18N2O2/c1-21-20(24)17-7-4-8-18(13-17)22-19(23)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
• Isomères SMILES: CNC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC3=CC=CC=C3C=C2
• PubChem CID: 9883483
• Poids moléculaire: 318.40

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Naphthalenes Benzamides Anilides N-arylamides Benzoyl derivatives Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Naphthalene - Benzamide - Anilide - Benzoyl - N-arylamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 318.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 318.137 Da
• Monoisotopic Mass: 318.137 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 451.000
• 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