WAY-299838 - 10mM in DMSO , CAS No.333357-56-5

CAS: 333357-56-5 Cat. No.: W423430 Formula: C₁₈H₁₉IN₂O₂ Peso molecolare: 422.26013 PubChem CID: 589919

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

HIF-1 inhibitor

Specifiche

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

2.954

Conteggio HBD

1

Legame rotabile

4

Nomi e identificatori

Pubchem Sid

528767794

Sorrisi canonici

C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)I

IUPAC Name

N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide

InChIKey

ZOFBYPLMJZJZIK-UHFFFAOYSA-N

INCHI

1S/C18H19IN2O2/c19-16-5-7-17(8-6-16)20-18(22)15-3-1-14(2-4-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)

Isomeri SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)I

PubChem CID

589919

Peso molecolare

422.26013

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: Benzamides Benzoyl derivatives Phenylmethylamines Benzylamines Aralkylamines Iodobenzenes Morpholines Aryl iodides Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organoiodides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Benzoic acid or derivatives - Benzamide - Phenylmethylamine - Benzylamine - Benzoyl - Iodobenzene - Aralkylamine - Halobenzene - Morpholine - Oxazinane - Aryl halide - Aryl iodide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen 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)

HepG2 (196354 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 422.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 422.049 Da
• Monoisotopic Mass: 422.049 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 371.000
• 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