SCH-202676 - ≥98% , CAS No.70375-43-8

CAS: 70375-43-8 Cat. No.: S275179 Formule: C₁₅H₁₃N₃S.HBr Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Note

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.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CN=C1N=C(N(S1)C2=CC=CC=C2)C3=CC=CC=C3.Br

PubChem CID

11957689

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO to 25 mM (with warming)
• Poids moléculaire: 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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