WAY-325006 - 10mM in DMSO , CAS No.633279-99-9

CAS: 633279-99-9 Cat. No.: W425210 Formula: C₂₃H₁₆N₂O₄S Peso molecolare: 416.45 PubChem CID: 1265490

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

AKS1 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

2.998

Conteggio HBD

1

Legame rotabile

3

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

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

WJSRFFNGNHNJLM-UHFFFAOYSA-N

INCHI

1S/C23H16N2O4S/c1-25-19-12-11-18(24-30(28,29)14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h2-13,24H,1H3

Isomeri SMILES

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

PubChem CID

1265490

Peso molecolare

416.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Vinylogous amides Lactams Azacyclic compounds 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 - Pyridinone - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Vinylogous amide - Heteroaromatic compound - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 416.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 416.083 Da
• Monoisotopic Mass: 416.083 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 855.000
• 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

Domande frequenti

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 633279-99-9, the molecular formula is C23H16N2O4S, and the molecular weight is 416.45 g/mol. InChIKey WJSRFFNGNHNJLM-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.