WAY-608306 - ≥98% , CAS No.473703-97-8

CAS: 473703-97-8 Cat. No.: W417652 Formula: C₁₇H₁₅N₃O₄ Peso molecolare: 325.32 PubChem CID: 2897092

GRADE & PURITY ≥98%

Synonyms

N-(benzo[d][1,3]dioxol-5-yl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

inhibitors of PfENR

Specifications

Sinonimi

N-(benzo[d][1,3]dioxol-5-yl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-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: 1.233
• Conteggio HBD: 3
• Legame rotabile: 3

Nomi e identificatori

• Pubchem Sid: 504762246
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762246
• Sorrisi canonici: C1OC2=C(O1)C=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4N3
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
• InChIKey: FYKHBBWYNPHTRP-UHFFFAOYSA-N
• INCHI: 1S/C17H15N3O4/c21-16(18-10-5-6-14-15(7-10)24-9-23-14)8-13-17(22)20-12-4-2-1-3-11(12)19-13/h1-7,13,19H,8-9H2,(H,18,21)(H,20,22)
• Isomeri SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4N3
• PubChem CID: 2897092
• Peso molecolare: 325.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Benzodioxoles N-arylamides Secondary alkylarylamines Benzenoids Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Benzodioxole - N-arylamide - Secondary aliphatic/aromatic amine - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Acetal - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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: 325.320 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 325.106 Da
• Monoisotopic Mass: 325.106 Da
• Topological Polar Surface Area: 88.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 500.000
• 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

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 473703-97-8, the molecular formula is C17H15N3O4, and the molecular weight is 325.32 g/mol. InChIKey FYKHBBWYNPHTRP-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.