V031-2758 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide

V031-2758 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide
V031-2758 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2758
N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(4-methoxyphenyl)-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

V031-2758

Molecular Formula

C31H31N3O4S (C31 H31 N3 O4 S)

Compound Name

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

IUPAC name

N-[3-({4-[(34-dimethylphenyl)amino]-1-(4-methoxyphenyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide

SMILES

Cc(cc1)c(C)cc1NC(C(N(C1=O)c(cc2)ccc2OC)=O)=C1Sc1cc(NC(C2CCCC2)=O)ccc1

InChI

InChI=1S/C31H31N3O4S/c1-19-11-12-23(17-20(19)2)32-27-28(31(37)34(30(27)36)24-13-15-25(38-3)16-14-24)39-26-10-6-9-22(18-26)33-29(35)21-7-4-5-8-21/h6,9-18,21,32H,4-5,7-8H2,1-3H3,(H,33,35)

InChI Key

XBPJWAYTBJPYSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497610

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.67

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

5.878

Distribution Coefficient, logD

5.878

Water Solubility, LogSw

-5.35

Polar Surface Area

69.184

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V031-2758 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-2758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2758?
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What is the minimum amount of V031-2758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2758
  • 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 V031-2758 available by request