V026-5472 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methoxybenzamide

V026-5472 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methoxybenzamide
V026-5472 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5472
N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-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

V026-5472

Molecular Formula

C31H27N3O7S (C31 H27 N3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Nc(cc1)ccc1SC(C(N(Cc1ccco1)C1=O)=O)=C1Nc(ccc(OC)c1)c1OC)=O

InChI

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

InChI Key

JIQOTKKITDWOHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497405

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

5.021

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-4.64

Polar Surface Area

91.463

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with V026-5472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5472?
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What is the minimum amount of V026-5472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5472
  • 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 V026-5472 available by request