WAY-300408 - ≥95% , CAS No.301681-50-5

CAS: 301681-50-5 Cat. No.: W416829 Formula: C₁₉H₁₉N₃O₅S Peso molecolare: 401.44 Numero EC: 144-552-1 PubChem CID: 655804

GRADE & PURITY ≥95%

Synonyms

N-(4-(N-(3,4-Dimethylisoxazol-5-yl)sulfamoyl)phenyl)-4-methoxybenzamide | MLS000068264 | SMR000009612

Storage

Room temperature

Panoramica

altering the lifespan of a eukaryotic organism; inhibitors of voltage-gated sodium channels;

Specifications

Sinonimi

N-(4-(N-(3,4-Dimethylisoxazol-5-yl)sulfamoyl)phenyl)-4-methoxybenzamide | MLS000068264 | SMR000009612

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Proprietà del prodotto

ALogP

2.433

Conteggio HBD

2

Legame rotabile

6

Nomi e identificatori

Pubchem Sid

488190989

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190989

Sorrisi canonici

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC

IUPAC Name

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide

InChIKey

KFEMQBROBHMUBC-UHFFFAOYSA-N

INCHI

1S/C19H19N3O5S/c1-12-13(2)21-27-19(12)22-28(24,25)17-10-6-15(7-11-17)20-18(23)14-4-8-16(26-3)9-5-14/h4-11,22H,1-3H3,(H,20,23)

Isomeri SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC

PubChem CID

655804

Peso molecolare

401.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Phenol ether - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Isoxazole - Aminosulfonyl compound - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Azole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

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Luciferin 4-monooxygenase (66902 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 401.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 401.105 Da
• Monoisotopic Mass: 401.105 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 622.000
• 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