V031-2551 Screening compound: N-(3-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide

V031-2551 Screening compound: N-(3-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
V031-2551 Screening compound: N-(3-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2551
N-(3-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-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

V031-2551

Molecular Formula

C33H29N3O6S (C33 H29 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(C(N(C1=O)c(ccc(OC)c2)c2OC)=O)=C1Sc1cc(NC(c(cc2)ccc2OC)=O)ccc1

InChI

InChI=1S/C33H29N3O6S/c1-20-8-12-22(13-9-20)34-29-30(33(39)36(32(29)38)27-17-16-25(41-3)19-28(27)42-4)43-26-7-5-6-23(18-26)35-31(37)21-10-14-24(40-2)15-11-21/h5-19,34H,1-4H3,(H,35,37)

InChI Key

QSKHEUGLTYADTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497802

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

595.68

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

5.681

Distribution Coefficient, logD

5.681

Water Solubility, LogSw

-5.51

Polar Surface Area

83.500

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with V031-2551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2551?
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What is the minimum amount of V031-2551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2551
  • 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 V031-2551 available by request