V031-2524 Screening compound: methyl 2-({[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

V031-2524 Screening compound: methyl 2-({[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
V031-2524 Screening compound: methyl 2-({[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2524
methyl 2-({[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

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

V031-2524

Molecular Formula

C29H28BrN3O6S2 (C29 H28 BrN3 O6 S2)

Compound Name

methyl 2-({[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

IUPAC name

methyl 2-({[3-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

SMILES

CC(C)CN(C(C(Nc(cc1)ccc1Br)=C1Sc2cc(NS(Cc(cccc3)c3C(OC)=O)(=O)=O)ccc2)=O)C1=O

InChI

InChI=1S/C29H28BrN3O6S2/c1-18(2)16-33-27(34)25(31-21-13-11-20(30)12-14-21)26(28(33)35)40-23-9-6-8-22(15-23)32-41(37,38)17-19-7-4-5-10-24(19)29(36)39-3/h4-15,18,31-32H,16-17H2,1-3H3

InChI Key

WEVBEDITHPFRFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496937

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

658.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.125

Distribution Coefficient, logD

6.070

Water Solubility, LogSw

-5.46

Polar Surface Area

102.325

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V031-2524 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

References: we are preparing a list of scientific research reports with V031-2524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2524?
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What is the minimum amount of V031-2524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2524
  • 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 V031-2524 available by request