WAY-329606 - ≥98% , CAS No.956964-02-6

CAS: 956964-02-6 Cat. No.: W417305 Formula: C₂₀H₁₉N₃O₃ Peso molecolare: 349.4 PubChem CID: 7997207

GRADE & PURITY ≥98%

Synonyms

[(3,4-dimethylphenyl)carbamoyl]methyl 4-(1H-pyrazol-1-yl)benzoate | 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

altering the lifespan of a eukaryotic organism; kinase inhibitory activity;

Specifications

Sinonimi

[(3,4-dimethylphenyl)carbamoyl]methyl 4-(1H-pyrazol-1-yl)benzoate | 2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1H-pyrazol-1-yl)benzoate

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

2.768

Conteggio HBD

1

Legame rotabile

5

Nomi e identificatori

Pubchem Sid

488196251

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196251

Sorrisi canonici

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

IUPAC Name

[2-(3,4-dimethylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate

InChIKey

OMKUCFAFJIMHPI-UHFFFAOYSA-N

INCHI

1S/C20H19N3O3/c1-14-4-7-17(12-15(14)2)22-19(24)13-26-20(25)16-5-8-18(9-6-16)23-11-3-10-21-23/h3-12H,13H2,1-2H3,(H,22,24)

Isomeri SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

PubChem CID

7997207

Peso molecolare

349.4

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: Benzoic acid esters Anilides o-Xylenes N-arylamides Benzoyl derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Anilide - O-xylene - Xylene - Benzoyl - N-arylamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10