WAY-271413 - ≥98% , CAS No.536731-65-4

CAS: 536731-65-4 Cat. No.: W418026 Molecular Weight: 393.4158 PubChem CID: 1579446

GRADE & PURITY ≥98%

Synonyms

2-(1,3-dioxoisoindolin-2-yl)-N-(4-(3-methoxyphenyl)thiazol-2-yl)acetamide | 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide | 2-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GSK-3β inhibitor

Specifications

Synonyms

2-(1, 3-dioxoisoindolin-2-yl)-N-(4-(3-methoxyphenyl)thiazol-2-yl)acetamide | 2-(1, 3-dioxo-2, 3-dihydro-1H-isoindol-2-yl)-N-[4-(3-methoxyphenyl)-1, 3-thiazol-2-yl]acetamide | 2-(1, 3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1, 3-thiazol-2-yl]acetamide

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: 2.426
• HBD Count: 1
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 504760610
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760610
• Canonical Smiles: COC1=CC=CC(=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
• InChIKey: OLPPQDIVHUSKKX-UHFFFAOYSA-N
• INCHI: 1S/C20H15N3O4S/c1-27-13-6-4-5-12(9-13)16-11-28-20(21-16)22-17(24)10-23-18(25)14-7-2-3-8-15(14)19(23)26/h2-9,11H,10H2,1H3,(H,21,22,24)
• Isomeric SMILES: COC1=CC=CC(=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
• PubChem CID: 1579446
• Molecular Weight: 393.4158

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Phenoxy compounds N-arylamides Methoxybenzenes Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers N-substituted carboxylic acid imides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid imide - Azole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 393.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 393.078 Da
• Monoisotopic Mass: 393.078 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 607.000
• 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