V026-5466 Screening compound: N-[4-({4-[(4-methoxyphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide

V026-5466 Screening compound: N-[4-({4-[(4-methoxyphenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
V026-5466 Screening compound: N-[4-({4-[(4-methoxyphenyl)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 V026-5466
N-[4-({4-[(4-methoxyphenyl)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

V026-5466

Molecular Formula

C27H24N4O6S (C27 H24 N4 O6 S)

Compound Name

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

SMILES

CC(C)N(C(C(Nc(cc1)ccc1OC)=C1Sc(cc2)ccc2NC(c(cc2)ccc2[N+]([O-])=O)=O)=O)C1=O

InChI

InChI=1S/C27H24N4O6S/c1-16(2)30-26(33)23(28-18-6-12-21(37-3)13-7-18)24(27(30)34)38-22-14-8-19(9-15-22)29-25(32)17-4-10-20(11-5-17)31(35)36/h4-16,28H,1-3H3,(H,29,32)

InChI Key

FLRMTYKAXLRWPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497024

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.58

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

4.685

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.42

Polar Surface Area

102.611

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V026-5466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5466?
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What is the minimum amount of V026-5466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5466
  • 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 V026-5466 available by request