WAY-620521 - 10mM in DMSO , CAS No.315693-33-5

CAS: 315693-33-5 Cat. No.: W423278 Peso molecular: 341.38 PubChem CID: 846619

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

inhibitor of urea transporter UT-B

Specifications

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: 3.011
• Recuento HBD: 1
• Enlace rotable: 3

Nombres e identificadores

• Sonrisas canónicas: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4C=C3
• IUPAC Name: N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• InChIKey: OMISXEFABJZMOB-UHFFFAOYSA-N
• INCHI: 1S/C18H15NO4S/c20-24(21,16-7-8-17-18(12-16)23-10-9-22-17)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12,19H,9-10H2
• Isómeros SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4C=C3
• PubChem CID: 846619
• Peso molecular: 341.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Sulfanilides Benzo-1,4-dioxanes Alkyl aryl ethers Para dioxins Organosulfonamides Aminosulfonyl compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Benzodioxane - Naphthalene - Sulfanilide - Alkyl aryl ether - Para-dioxin - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two 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

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 341.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 341.072 Da
• Monoisotopic Mass: 341.072 Da
• Topological Polar Surface Area: 73.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 532.000
• 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