V025-8462 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)-2H-1,3-benzodioxole-5-carboxamide

V025-8462 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)-2H-1,3-benzodioxole-5-carboxamide
V025-8462 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)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8462
N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

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

V025-8462

Molecular Formula

C33H27N3O6S (C33 H27 N3 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)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(3-{[1-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc1)ccc1NC(C(N(C1=O)c(cc(C)cc2)c2OC)=O)=C1Sc1cc(NC(c(cc2)cc3c2OCO3)=O)ccc1

InChI

InChI=1S/C33H27N3O6S/c1-19-7-11-22(12-8-19)34-29-30(33(39)36(32(29)38)25-15-20(2)9-13-26(25)40-3)43-24-6-4-5-23(17-24)35-31(37)21-10-14-27-28(16-21)42-18-41-27/h4-17,34H,18H2,1-3H3,(H,35,37)

InChI Key

BKDAXVBZZYZFIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.873

Distribution Coefficient, logD

5.873

Water Solubility, LogSw

-5.43

Polar Surface Area

85.527

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V025-8462 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V025-8462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8462?
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What is the minimum amount of V025-8462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8462
  • 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 V025-8462 available by request