V031-2529 Screening compound: 2-cyano-N-{3-[(2,5-dioxo-1-phenyl-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide

V031-2529 Screening compound: 2-cyano-N-{3-[(2,5-dioxo-1-phenyl-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide
V031-2529 Screening compound: 2-cyano-N-{3-[(2,5-dioxo-1-phenyl-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2529
2-cyano-N-{3-[(2,5-dioxo-1-phenyl-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide

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

V031-2529

Molecular Formula

C32H26N4O4S2 (C32 H26 N4 O4 S2)

Compound Name

2-cyano-N-{3-[(2,5-dioxo-1-phenyl-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide

IUPAC name

2-cyano-N-{3-[(25-dioxo-1-phenyl-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide

SMILES

CC(C)c(cc1)ccc1NC(C(N(C1=O)c2ccccc2)=O)=C1Sc1cccc(NS(c(cccc2)c2C#N)(=O)=O)c1

InChI

InChI=1S/C32H26N4O4S2/c1-21(2)22-15-17-24(18-16-22)34-29-30(32(38)36(31(29)37)26-11-4-3-5-12-26)41-27-13-8-10-25(19-27)35-42(39,40)28-14-7-6-9-23(28)20-33/h3-19,21,34-35H,1-2H3

InChI Key

OIBRIXDFRCAKJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497891

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

594.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.760

Distribution Coefficient, logD

5.737

Water Solubility, LogSw

-5.49

Polar Surface Area

95.697

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

V031-2529 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V031-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2529?
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What is the minimum amount of V031-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2529
  • 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 V031-2529 available by request