WAY-325010 - 10mM in DMSO , CAS No.670259-16-2

CAS: 670259-16-2 Cat. No.: W425378 Fórmula: C₂₃H₁₅FN₂O₄S Peso molecular: 434.44

CALIDAD & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

AKS1 inhibitor

Especificaciones

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

ALogP

3.204

hba_count

4

Recuento HBD

1

Enlace rotable

3

Nombres e identificadores

Sonrisas canónicas

CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)NS(=O)(=O)C5=CC=C(C=C5)F

IUPAC Name

4-fluoro-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide

InChIKey

BTEJGTMVORRRKC-UHFFFAOYSA-N

INCHI

1S/C23H15FN2O4S/c1-26-19-11-10-18(25-31(29,30)14-8-6-13(24)7-9-14)22-21(19)17(12-20(26)27)15-4-2-3-5-16(15)23(22)28/h2-12,25H,1H3

Isómeros SMILES

CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)NS(=O)(=O)C5=CC=C(C=C5)F

Peso molecular

434.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Hydroquinolones Isoquinolones and derivatives Benzenesulfonamides Sulfanilides Hydroquinolines Benzenesulfonyl compounds Aryl ketones Pyridinones Fluorobenzenes Organosulfonamides Aryl fluorides Heteroaromatic compounds Aminosulfonyl compounds Vinylogous amides Lactams Azacyclic compounds Organofluorides Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene - Dihydroquinolone - Isoquinolone - Benzenesulfonamide - Dihydroquinoline - Quinoline - Sulfanilide - Benzenesulfonyl group - Aryl ketone - Fluorobenzene - Halobenzene - Pyridinone - Organosulfonic acid amide - Aryl fluoride - Pyridine - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Aminosulfonyl compound - Lactam - Ketone - Azacycle - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 434.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 434.074 Da
• Monoisotopic Mass: 434.074 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 890.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 670259-16-2, the molecular formula is C23H15FN2O4S, and the molecular weight is 434.44 g/mol. InChIKey BTEJGTMVORRRKC-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.