V026-6760 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-nitrobenzamide

V026-6760 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-nitrobenzamide
V026-6760 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-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6760
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-nitrobenzamide

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

V026-6760

Molecular Formula

C30H24N4O8S (C30 H24 N4 O8 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-nitrobenzamide

IUPAC name

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

SMILES

COc(cc1)cc(OC)c1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc(cc1)ccc1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C30H24N4O8S/c1-40-21-11-14-24(25(16-21)41-2)32-26-27(30(37)33(29(26)36)17-22-4-3-15-42-22)43-23-12-7-19(8-13-23)31-28(35)18-5-9-20(10-6-18)34(38)39/h3-16,32H,17H2,1-2H3,(H,31,35)

InChI Key

KOZPKJYQGAXKET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497666

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

600.61

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.964

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-4.65

Polar Surface Area

117.301

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V026-6760 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 V026-6760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6760?
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What is the minimum amount of V026-6760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6760
  • 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 V026-6760 available by request