V025-8450 Screening compound: N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide

V025-8450 Screening compound: N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
V025-8450 Screening compound: N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8450
N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)amino]-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

V025-8450

Molecular Formula

C32H26N4O6S (C32 H26 N4 O6 S)

Compound Name

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

IUPAC name

N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide

SMILES

Cc(cc1)ccc1NC(C(N(C1=O)c(cc(C)cc2)c2OC)=O)=C1Sc1cc(NC(c(cc2)ccc2[N+]([O-])=O)=O)ccc1

InChI

InChI=1S/C32H26N4O6S/c1-19-7-12-22(13-8-19)33-28-29(32(39)35(31(28)38)26-17-20(2)9-16-27(26)42-3)43-25-6-4-5-23(18-25)34-30(37)21-10-14-24(15-11-21)36(40)41/h4-18,33H,1-3H3,(H,34,37)

InChI Key

ZEGXPOZRHGYLSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.65

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

5.876

Distribution Coefficient, logD

5.876

Water Solubility, LogSw

-5.48

Polar Surface Area

101.794

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

References: we are preparing a list of scientific research reports with V025-8450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8450?
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What is the minimum amount of V025-8450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8450
  • 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 V025-8450 available by request