Sulazepam - Moligand™,≥95% , CAS No.2898-13-7

CAS: 2898-13-7 Cat. No.: S1053467 Molecular Weight: 300.81

GRADE & PURITY Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Sulazepam, a benzodiazepine, is a selective ovarian cancer G protein-coupled receptor (OGR1) agonist. Sulazepam has anticonvulsive action and has the potential for airway hyperresponsiveness (AHR) research.

Specifications

Specifications & Purity

Moligand™, ≥95%

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.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
• IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepine-2-thione
• InChIKey: MWGWTOPCKLQYEU-UHFFFAOYSA-N
• INCHI: 1S/C16H13ClN2S/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
• Isomeric SMILES: CN1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
• Alternate CAS: 2898-13-7
• Molecular Weight: 300.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Benzene and substituted derivatives Aryl chlorides Thiolactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiolactam - Ketimine - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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

Chemical and Physical Properties

• Molecular Weight: 300.800 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 300.049 Da
• Monoisotopic Mass: 300.049 Da
• Topological Polar Surface Area: 47.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 403.000
• 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