SCH 202676 hydrobromide - ≥99%(HPLC) , CAS No.265980-25-4

CAS: 265980-25-4 Cat. No.: S287499 Fórmula: C₁₅H₁₃N₃S.HBr Peso molecular: 348.26 PubChem CID: 11957689

GRADE & PURITY ≥99%(HPLC)

Synonyms

DTXSID8021143 | (Z)-N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)methanamine hydrobromide | LP01078 | N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide | SCH-202676Hydrobromide | NCGC00094356-01 | N-(2,3-diphenyl-1,2,4-thiadiazol-5-(2H)-yliden

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID8021143 | (Z)-N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)methanamine hydrobromide | LP01078 | N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide | SCH-202676Hydrobromide | NCGC00094356-01 | N-(2,3-diphenyl-1,2,4-thiadiazol-5-(2H)-yliden

Especificações e pureza

≥99%(HPLC)

Mecanismos bioquímicos e fisiológicos

Sulphydryl-reactive compound that inhibits agonist and antagonist binding to G-protein-coupled receptors. Inhibits a variety of GPCRs including adenosine, opioid, muscarinic, adrenergic and dopaminergic receptors (IC50values are 0.1-1.8μM).

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%(HPLC)

Nomes e identificadores

• Sorrisos canónicos: CN=C1N=C(N(S1)C2=CC=CC=C2)C3=CC=CC=C3.Br
• IUPAC Name: N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
• InChIKey: YJYGOWVFDGULLL-UHFFFAOYSA-N
• INCHI: 1S/C15H13N3S.BrH/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13;/h2-11H,1H3;1H
• SMILES isoméricas: CN=C1N=C(N(S1)C2=CC=CC=C2)C3=CC=CC=C3.Br
• PubChem CID: 11957689
• Peso molecular: 348.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 8.71, Max Conc. mM: 25 with gentle warming
• Peso molecular: 348.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 347.009 Da
• Monoisotopic Mass: 347.009 Da
• Topological Polar Surface Area: 53.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 366.000
• 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: 2

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