V031-0098 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide

V031-0098 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
V031-0098 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)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 V031-0098
N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)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

V031-0098

Molecular Formula

C32H26FN3O6S (C32 H26 FN3 O6 S)

Compound Name

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

SMILES

COc(cc1)ccc1NC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Sc(cc1)ccc1NC(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C32H26FN3O6S/c1-40-23-12-6-20(7-13-23)34-28-29(32(39)36(31(28)38)22-10-4-19(33)5-11-22)43-25-15-8-21(9-16-25)35-30(37)26-17-14-24(41-2)18-27(26)42-3/h4-18,34H,1-3H3,(H,35,37)

InChI Key

DNWZSMXSKARKRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496199

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

599.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-5.30

Polar Surface Area

83.800

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

References: we are preparing a list of scientific research reports with V031-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0098?
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What is the minimum amount of V031-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0098
  • 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 V031-0098 available by request