V031-2734 Screening compound: 4-chloro-N-[4-({4-[(4-fluorophenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide

V031-2734 Screening compound: 4-chloro-N-[4-({4-[(4-fluorophenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide
V031-2734 Screening compound: 4-chloro-N-[4-({4-[(4-fluorophenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2734
4-chloro-N-[4-({4-[(4-fluorophenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-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

V031-2734

Molecular Formula

C29H21ClFN3O4S2 (C29 H21 ClFN3 O4 S2)

Compound Name

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

IUPAC name

4-chloro-N-[4-({4-[(4-fluorophenyl)amino]-1-(4-methylphenyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1N(C(C(Nc(cc1)ccc1F)=C1Sc(cc2)ccc2NS(c(cc2)ccc2Cl)(=O)=O)=O)C1=O

InChI

InChI=1S/C29H21ClFN3O4S2/c1-18-2-12-23(13-3-18)34-28(35)26(32-21-8-6-20(31)7-9-21)27(29(34)36)39-24-14-10-22(11-15-24)33-40(37,38)25-16-4-19(30)5-17-25/h2-17,32-33H,1H3

InChI Key

RFAZCNLPNAFAGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497276

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

594.09

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.240

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-6.23

Polar Surface Area

78.641

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

References: we are preparing a list of scientific research reports with V031-2734 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V031-2734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2734
  • 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 V031-2734 available by request