V031-0086 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide

V031-0086 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide
V031-0086 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0086
N-(4-{[1-(4-fluorophenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide

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

V031-0086

Molecular Formula

C29H26FN3O4S (C29 H26 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Sc(cc1)ccc1NC(C1CCCC1)=O

InChI

InChI=1S/C29H26FN3O4S/c1-37-23-14-8-20(9-15-23)31-25-26(29(36)33(28(25)35)22-12-6-19(30)7-13-22)38-24-16-10-21(11-17-24)32-27(34)18-4-2-3-5-18/h6-18,31H,2-5H2,1H3,(H,32,34)

InChI Key

AGVSNUIZAVEMHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496184

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.61

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

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-4.58

Polar Surface Area

69.184

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with V031-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0086?
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What is the minimum amount of V031-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0086
  • 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 V031-0086 available by request