V031-2696 Screening compound: 4-chloro-N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

V031-2696 Screening compound: 4-chloro-N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
V031-2696 Screening compound: 4-chloro-N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2696
4-chloro-N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-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

V031-2696

Molecular Formula

C30H21ClFN3O4S (C30 H21 ClFN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Sc(cc1)ccc1NC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C30H21ClFN3O4S/c1-39-24-14-8-21(9-15-24)33-26-27(30(38)35(29(26)37)23-12-6-20(32)7-13-23)40-25-16-10-22(11-17-25)34-28(36)18-2-4-19(31)5-3-18/h2-17,33H,1H3,(H,34,36)

InChI Key

VACCEYFLTJVUKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496270

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

574.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.854

Distribution Coefficient, logD

5.853

Water Solubility, LogSw

-6.18

Polar Surface Area

68.626

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

References: we are preparing a list of scientific research reports with V031-2696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2696?
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What is the minimum amount of V031-2696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2696
  • 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 V031-2696 available by request