V031-0097 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]-2,4-dimethoxybenzamide

V031-0097 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]-2,4-dimethoxybenzamide
V031-0097 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]-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0097
N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide

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

V031-0097

Molecular Formula

C31H27N3O7S (C31 H27 N3 O7 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]-2,4-dimethoxybenzamide

IUPAC name

N-[3-({1-[(furan-2-yl)methyl]-4-[(4-methoxyphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-24-dimethoxybenzamide

SMILES

COc(cc1)ccc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc1cc(NC(c(ccc(OC)c2)c2OC)=O)ccc1

InChI

InChI=1S/C31H27N3O7S/c1-38-21-11-9-19(10-12-21)32-27-28(31(37)34(30(27)36)18-23-7-5-15-41-23)42-24-8-4-6-20(16-24)33-29(35)25-14-13-22(39-2)17-26(25)40-3/h4-17,32H,18H2,1-3H3,(H,33,35)

InChI Key

KOMFUHAYKUUQJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496342

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

585.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.56

Polar Surface Area

92.161

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with V031-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0097?
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What is the minimum amount of V031-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0097
  • 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 V031-0097 available by request