V029-8512 Screening compound: 4-chloro-N-(3-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

V029-8512 Screening compound: 4-chloro-N-(3-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
V029-8512 Screening compound: 4-chloro-N-(3-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8512
4-chloro-N-(3-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)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

V029-8512

Molecular Formula

C29H18ClF2N3O3S (C29 H18 ClF2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Cl)Nc1cc(SC(C(N(C2=O)c(cc3)ccc3F)=O)=C2Nc(cc2)ccc2F)ccc1

InChI

InChI=1S/C29H18ClF2N3O3S/c30-18-6-4-17(5-7-18)27(36)34-22-2-1-3-24(16-22)39-26-25(33-21-12-8-19(31)9-13-21)28(37)35(29(26)38)23-14-10-20(32)11-15-23/h1-16,33H,(H,34,36)

InChI Key

CQQLNOXQORLHGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497616

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562

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

5.792

Distribution Coefficient, logD

5.791

Water Solubility, LogSw

-6.22

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 V029-8512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8512?
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What is the minimum amount of V029-8512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8512
  • 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 V029-8512 available by request