V031-0073 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V031-0073 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V031-0073 Screening compound: N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0073
N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

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

V031-0073

Molecular Formula

C29H23N3O5S (C29 H23 N3 O5 S)

Compound Name

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

IUPAC name

N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

SMILES

COc(cc1)ccc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc1cc(NC(c2ccccc2)=O)ccc1

InChI

InChI=1S/C29H23N3O5S/c1-36-22-14-12-20(13-15-22)30-25-26(29(35)32(28(25)34)18-23-10-6-16-37-23)38-24-11-5-9-21(17-24)31-27(33)19-7-3-2-4-8-19/h2-17,30H,18H2,1H3,(H,31,33)

InChI Key

LIKRQAABLKUADR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496325

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.58

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

4.738

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-4.50

Polar Surface Area

76.987

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

References: we are preparing a list of scientific research reports with V031-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0073?
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What is the minimum amount of V031-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0073
  • 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 V031-0073 available by request