WAY-339503 - ≥98% , CAS No.863589-52-0

CAS: 863589-52-0 Cat. No.: W418374 Summenformel: C₂₀H₁₅N₃O₂S Molekulargewicht: 361.417 PubChem CID: 3514815

GRADE & PURITY ≥98%

Synonyms

3-methoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Antitumor histone acetyl transferase inhibitors; modulator of acetyltransferase/deacetylase activity; sirtuin modulators; sirtuin modulators; sirtuin modulators; sirtuin modulators; sirtuin modulators;

Specifications

Synonyme

3-methoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.655
• HBD-Zahl: 1
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 504762592
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762592
• Kanonisches Lächeln: COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(S3)N=CC=C4
• IUPAC Name: 3-methoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
• InChIKey: FHUQJHXYDFDWJO-UHFFFAOYSA-N
• INCHI: 1S/C20H15N3O2S/c1-25-16-8-3-5-13(12-16)18(24)22-15-7-2-6-14(11-15)19-23-17-9-4-10-21-20(17)26-19/h2-12H,1H3,(H,22,24)
• Isomere SMILES: COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(S3)N=CC=C4
• PubChem CID: 3514815
• Molekulargewicht: 361.417

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Pyridines and derivatives Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Thiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 361.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 361.088 Da
• Monoisotopic Mass: 361.088 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 492.000
• 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

Häufig gestellte Fragen

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 863589-52-0, the molecular formula is C20H15N3O2S, and the molecular weight is 361.417 g/mol. InChIKey FHUQJHXYDFDWJO-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.