V030-6930 Screening compound: N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

V030-6930 Screening compound: N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
V030-6930 Screening compound: N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6930
N-[4-({4-[(4-methylphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-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

V030-6930

Molecular Formula

C27H24N4O5S (C27 H24 N4 O5 S)

Compound Name

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

IUPAC name

N-[4-({4-[(4-methylphenyl)amino]-25-dioxo-1-(propan-2-yl)-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

SMILES

CC(C)N(C(C(Nc1ccc(C)cc1)=C1Sc(cc2)ccc2NC(c(cc2)ccc2[N+]([O-])=O)=O)=O)C1=O

InChI

InChI=1S/C27H24N4O5S/c1-16(2)30-26(33)23(28-19-8-4-17(3)5-9-19)24(27(30)34)37-22-14-10-20(11-15-22)29-25(32)18-6-12-21(13-7-18)31(35)36/h4-16,28H,1-3H3,(H,29,32)

InChI Key

NZBNZNWNFXPBAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497025

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-4.97

Polar Surface Area

95.068

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V030-6930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6930?
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What is the minimum amount of V030-6930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6930
  • 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 V030-6930 available by request