V031-2689 Screening compound: 4-bromo-N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V031-2689 Screening compound: 4-bromo-N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V031-2689 Screening compound: 4-bromo-N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2689
4-bromo-N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

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

V031-2689

Molecular Formula

C29H19BrFN3O3S (C29 H19 BrFN3 O3 S)

Compound Name

4-bromo-N-[3-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

IUPAC name

4-bromo-N-[3-({4-[(4-fluorophenyl)amino]-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

SMILES

O=C(c(cc1)ccc1Br)Nc1cc(SC(C(N(C2=O)c3ccccc3)=O)=C2Nc(cc2)ccc2F)ccc1

InChI

InChI=1S/C29H19BrFN3O3S/c30-19-11-9-18(10-12-19)27(35)33-22-5-4-8-24(17-22)38-26-25(32-21-15-13-20(31)14-16-21)28(36)34(29(26)37)23-6-2-1-3-7-23/h1-17,32H,(H,33,35)

InChI Key

JLDMBFJCSNOBPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496658

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

588.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.880

Distribution Coefficient, logD

5.879

Water Solubility, LogSw

-6.10

Polar Surface Area

61.082

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with V031-2689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2689?
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What is the minimum amount of V031-2689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2689
  • 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 V031-2689 available by request