Y030-9463 Screening compound: N-{4-[(4-methylphenyl)sulfamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

Y030-9463 Screening compound: N-{4-[(4-methylphenyl)sulfamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Y030-9463 Screening compound: N-{4-[(4-methylphenyl)sulfamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9463
N-{4-[(4-methylphenyl)sulfamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y030-9463

Molecular Formula

C21H18N2O5S (C21 H18 N2 O5 S)

Compound Name

N-{4-[(4-methylphenyl)sulfamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{4-[(4-methylphenyl)sulfamoyl]phenyl}-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc1)ccc1NS(c(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O)(=O)=O

InChI

InChI=1S/C21H18N2O5S/c1-14-2-5-17(6-3-14)23-29(25,26)18-9-7-16(8-10-18)22-21(24)15-4-11-19-20(12-15)28-13-27-19/h2-12,23H,13H2,1H3,(H,22,24)

InChI Key

DYYWWNQCUJUUJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05661086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.24

Polar Surface Area

81.095

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

Y030-9463 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y030-9463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9463?
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What is the minimum amount of Y030-9463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9463
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y030-9463 available by request