WYE-175840 - ≥95% , CAS No.380432-29-1

CAS: 380432-29-1 Cat. No.: W418284 Fórmula: C₁₇H₁₉N₅O₃S Peso molecular: 373.42946 Número CE: 998-046-8 PubChem CID: 3392670

GRADE & PURITY ≥95%

Synonyms

3,4-Diamino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-benzenesulfonamide | EN300-02490 | Z56827061 | MFCD03150787 | 3,4-diamino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzene-1-sulfonamide | 3,4-Diamino-N-(2,3-dihydro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Glutamate Racemase inhibitor; mitogen activated protein kinase-activated protein kinase-2 inhibitor;

Specifications

Sinónimos

3,4-Diamino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-benzenesulfonamide | EN300-02490 | Z56827061 | MFCD03150787 | 3,4-diamino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzene-1-sulfonamide | 3,4-Diamino-N-(2,3-dihydro

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥95%

Propriedades do produto

ALogP

-0.083

Contagem HBD

3

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

504762551

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762551

Sorrisos canónicos

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N)N

IUPAC Name

3,4-diamino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide

InChIKey

FBIVHNGOSFMCPF-UHFFFAOYSA-N

INCHI

1S/C17H19N5O3S/c1-11-16(17(23)22(21(11)2)12-6-4-3-5-7-12)20-26(24,25)13-8-9-14(18)15(19)10-13/h3-10,20H,18-19H2,1-2H3

SMILES isoméricas

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N)N

PubChem CID

3392670

Peso molecular

373.42946

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Aminobenzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Pyrazolones Organosulfonamides Vinylogous amides Heteroaromatic compounds Aminosulfonyl compounds Lactams Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Monocyclic benzene moiety - Pyrazolinone - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous amide - Lactam - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 373.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 373.121 Da
• Monoisotopic Mass: 373.121 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 681.000
• 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