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

CAS: 536731-65-4 Cat. No.: W418026 Formula: C₂₀H₁₅N₃O₄S Peso molecolare: 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

Panoramica

GSK-3β inhibitor

Specifications

Sinonimi

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

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

2.426

Conteggio HBD

1

Legame rotabile

5

Nomi e identificatori

Pubchem Sid

504760610

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760610

Sorrisi canonici

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)

Isomeri SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

PubChem CID

1579446

Peso molecolare

393.4158

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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

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 536731-65-4, the molecular formula is C20H15N3O4S, and the molecular weight is 393.4158 g/mol. InChIKey OLPPQDIVHUSKKX-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.