WAY-606012 - ≥98% , CAS No.380314-37-4

CAS: 380314-37-4 Cat. No.: W417593 Formula: C₂₀H₁₈N₄O₂S Peso molecolare: 378.45 PubChem CID: 2362080

GRADE & PURITY ≥98%

Synonyms

N-(9-ethylcarbazol-3-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

stabilizing p53 mutants

Specifications

Sinonimi

N-(9-ethylcarbazol-3-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

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: 4.095
• Conteggio HBD: 2
• Legame rotabile: 5

Nomi e identificatori

• Pubchem Sid: 488192102
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192102
• Sorrisi canonici: CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3)C4=CC=CC=C41
• IUPAC Name: N-(9-ethylcarbazol-3-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
• InChIKey: ALEUTTNIZDFZSP-UHFFFAOYSA-N
• INCHI: 1S/C20H18N4O2S/c1-2-24-16-6-4-3-5-14(16)15-11-13(7-8-17(15)24)22-19(26)12-27-20-21-10-9-18(25)23-20/h3-11H,2,12H2,1H3,(H,22,26)(H,21,23,25)
• Isomeri SMILES: CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3)C4=CC=CC=C41
• PubChem CID: 2362080
• Peso molecolare: 378.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles N-arylamides Alkylarylthioethers Pyrimidones Substituted pyrroles Benzenoids Hydropyrimidines Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Aryl thioether - N-arylamide - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Pyrimidine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 378.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 378.115 Da
• Monoisotopic Mass: 378.115 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 650.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 380314-37-4, the molecular formula is C20H18N4O2S, and the molecular weight is 378.45 g/mol. InChIKey ALEUTTNIZDFZSP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.