V031-0074 Screening compound: N-(3-{[1-(4-fluorophenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide

V031-0074 Screening compound: N-(3-{[1-(4-fluorophenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
V031-0074 Screening compound: N-(3-{[1-(4-fluorophenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0074
N-(3-{[1-(4-fluorophenyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-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

V031-0074

Molecular Formula

C30H22FN3O4S (C30 H22 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Nc1cccc(SC(C(N(C2=O)c(cc3)ccc3F)=O)=C2Nc2ccccc2)c1)=O

InChI

InChI=1S/C30H22FN3O4S/c1-38-24-16-10-19(11-17-24)28(35)33-22-8-5-9-25(18-22)39-27-26(32-21-6-3-2-4-7-21)29(36)34(30(27)37)23-14-12-20(31)13-15-23/h2-18,32H,1H3,(H,33,35)

InChI Key

KFLOKJSREBQZKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496115

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.59

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

4.959

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.66

Polar Surface Area

68.626

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

References: we are preparing a list of scientific research reports with V031-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0074?
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What is the minimum amount of V031-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0074
  • 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 V031-0074 available by request