V031-2586 Screening compound: N-(4-{[1-(4-methoxyphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide

V031-2586 Screening compound: N-(4-{[1-(4-methoxyphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
V031-2586 Screening compound: N-(4-{[1-(4-methoxyphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2586
N-(4-{[1-(4-methoxyphenyl)-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide

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

V031-2586

Molecular Formula

C32H27N3O5S (C32 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc(cc1)ccc1SC(C(N(C1=O)c(cc2)ccc2OC)=O)=C1Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C32H27N3O5S/c1-20-4-6-21(7-5-20)30(36)34-23-10-18-27(19-11-23)41-29-28(33-22-8-14-25(39-2)15-9-22)31(37)35(32(29)38)24-12-16-26(40-3)17-13-24/h4-19,33H,1-3H3,(H,34,36)

InChI Key

ZKSUEJRJJNQKCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497857

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

565.65

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

5.636

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.49

Polar Surface Area

76.170

Acid Dissociation Constant (pKa)

10.74

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 V031-2586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2586?
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What is the minimum amount of V031-2586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2586
  • 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 V031-2586 available by request