V026-5446 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide

V026-5446 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
V026-5446 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5446
N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide

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

V026-5446

Molecular Formula

C31H23F2N3O5S (C31 H23 F2 N3 O5 S)

Compound Name

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

IUPAC name

N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-24-dimethoxybenzamide

SMILES

COc(cc1)cc(OC)c1C(Nc(cc1)ccc1SC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Nc(cc1)ccc1F)=O

InChI

InChI=1S/C31H23F2N3O5S/c1-40-23-13-16-25(26(17-23)41-2)29(37)35-21-9-14-24(15-10-21)42-28-27(34-20-7-3-18(32)4-8-20)30(38)36(31(28)39)22-11-5-19(33)6-12-22/h3-17,34H,1-2H3,(H,35,37)

InChI Key

YVDCDXADQHMRCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497630

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

587.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.47

Polar Surface Area

76.257

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

References: we are preparing a list of scientific research reports with V026-5446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5446?
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What is the minimum amount of V026-5446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5446
  • 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 V026-5446 available by request