SCH-202676 - ≥98% , CAS No.70375-43-8

CAS: 70375-43-8 Cat. No.: S275179 Peso molecular: 348.26 PubChem CID: 11957689

GRADE & PURITY ≥98%

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

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Non-selective GPCR allosteric modulator. Inhibits adenosine, opioid, muscarinic, adrenergic and dopaminergic receptors (IC 50 values are 0.1-1.8 μM). Inhibits agonist and antagonist binding to GPCRs.

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 25 mM (with 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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