V029-5588 Screening compound: 5-[4-(2-fluorobenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

V029-5588 Screening compound: 5-[4-(2-fluorobenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
V029-5588 Screening compound: 5-[4-(2-fluorobenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5588
5-[4-(2-fluorobenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-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

V029-5588

Molecular Formula

C32H28FN5O6S (C32 H28 FN5 O6 S)

Compound Name

5-[4-(2-fluorobenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(2-fluorobenzamido)-2-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

SMILES

Cc(c(C(O)=O)nn1-c2ccc(C)cc2)c1Oc(ccc(NC(c(cccc1)c1F)=O)c1)c1S(NCCc1ncccc1)(=O)=O

InChI

InChI=1S/C32H28FN5O6S/c1-20-10-13-24(14-11-20)38-31(21(2)29(37-38)32(40)41)44-27-15-12-23(36-30(39)25-8-3-4-9-26(25)33)19-28(27)45(42,43)35-18-16-22-7-5-6-17-34-22/h3-15,17,19,35H,16,18H2,1-2H3,(H,36,39)(H,40,41)

InChI Key

IWGLIRIQLVMZFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786376

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

629.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

0.223

Water Solubility, LogSw

-4.26

Polar Surface Area

123.843

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V029-5588 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V029-5588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5588?
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What is the minimum amount of V029-5588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5588
  • 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 V029-5588 available by request