V017-5112 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-cyclopentaneamidophenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

V017-5112 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-cyclopentaneamidophenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
V017-5112 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-cyclopentaneamidophenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5112
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-cyclopentaneamidophenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

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

V017-5112

Molecular Formula

C32H32N4O8S (C32 H32 N4 O8 S)

Compound Name

5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-cyclopentaneamidophenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

IUPAC name

5-(2-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-4-cyclopentaneamidophenoxy)-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

SMILES

Cc(c(C(O)=O)nn1-c2ccc(C)cc2)c1Oc(ccc(NC(C1CCCC1)=O)c1)c1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C32H32N4O8S/c1-19-7-11-24(12-8-19)36-31(20(2)29(35-36)32(38)39)44-26-14-10-23(34-30(37)22-5-3-4-6-22)16-28(26)45(40,41)33-17-21-9-13-25-27(15-21)43-18-42-25/h7-16,22,33H,3-6,17-18H2,1-2H3,(H,34,37)(H,38,39)

InChI Key

IVYSRGPMIYJQHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19977966

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

632.69

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

0.665

Water Solubility, LogSw

-4.79

Polar Surface Area

132.132

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

V017-5112 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 V017-5112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5112?
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What is the minimum amount of V017-5112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5112
  • 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 V017-5112 available by request