V031-2538 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide

V031-2538 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
V031-2538 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2538
N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide

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

V031-2538

Molecular Formula

C30H21F2N3O4S (C30 H21 F2 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(Nc(cc2)ccc2SC(C(N(C2=O)c(cc3)ccc3F)=O)=C2Nc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C30H21F2N3O4S/c1-39-24-4-2-3-18(17-24)28(36)34-22-11-15-25(16-12-22)40-27-26(33-21-9-5-19(31)6-10-21)29(37)35(30(27)38)23-13-7-20(32)8-14-23/h2-17,33H,1H3,(H,34,36)

InChI Key

DSHXFKJFHONHRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497646

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.58

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

5.368

Distribution Coefficient, logD

5.368

Water Solubility, LogSw

-5.55

Polar Surface Area

68.626

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

References: we are preparing a list of scientific research reports with V031-2538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2538?
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What is the minimum amount of V031-2538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2538
  • 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 V031-2538 available by request