V030-6944 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

V030-6944 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
V030-6944 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)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 V030-6944
N-[3-({4-[(3,4-dimethylphenyl)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

V030-6944

Molecular Formula

C30H24N4O6S (C30 H24 N4 O6 S)

Compound Name

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

IUPAC name

N-[3-({4-[(34-dimethylphenyl)amino]-1-[(furan-2-yl)methyl]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

SMILES

Cc(cc1)c(C)cc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc1cc(NC(c(cc2)ccc2[N+]([O-])=O)=O)ccc1

InChI

InChI=1S/C30H24N4O6S/c1-18-8-11-22(15-19(18)2)31-26-27(30(37)33(29(26)36)17-24-6-4-14-40-24)41-25-7-3-5-21(16-25)32-28(35)20-9-12-23(13-10-20)34(38)39/h3-16,31H,17H2,1-2H3,(H,32,35)

InChI Key

PNRVCVWRVSNKEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497682

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

568.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.774

Distribution Coefficient, logD

5.774

Water Solubility, LogSw

-5.44

Polar Surface Area

102.824

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V030-6944 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V030-6944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6944?
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What is the minimum amount of V030-6944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6944
  • 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 V030-6944 available by request