WAY-325138 - ≥98% , CAS No.444713-31-9

CAS: 444713-31-9 Cat. No.: W417075 Formula: C₁₉H₁₉N₃O₄S Peso molecolare: 385.44 PubChem CID: 135427527

GRADE & PURITY ≥98%

Synonyms

N-(4-Methoxyphenyl)-2-(2-((4-methoxyphenyl)imino)-4-oxothiazolidin-5-yl)acetamide | N-(4-methoxyphenyl)-2-{(2E)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

inhibit stimulation of cell proliferation of MDA-MB-231 human breast cancer cells

Specifications

Sinonimi

N-(4-Methoxyphenyl)-2-(2-((4-methoxyphenyl)imino)-4-oxothiazolidin-5-yl)acetamide | N-(4-methoxyphenyl)-2-{(2E)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}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: 2.869
• Conteggio HBD: 2
• Legame rotabile: 7

Nomi e identificatori

• Pubchem Sid: 504773307
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773307
• Sorrisi canonici: COC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)OC)S2
• IUPAC Name: N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
• InChIKey: BPKUAHDJSGJWPE-UHFFFAOYSA-N
• INCHI: 1S/C19H19N3O4S/c1-25-14-7-3-12(4-8-14)20-17(23)11-16-18(24)22-19(27-16)21-13-5-9-15(26-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24)
• PubChem CID: 135427527
• Peso molecolare: 385.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Thiazolines Secondary carboxylic acid amides Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - Methoxyaniline - Anisole - Phenol ether - N-arylamide - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Meta-thiazoline - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - N-acylimine - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 385.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 385.11 Da
• Monoisotopic Mass: 385.11 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1