V006-4582 Screening compound: N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide

V006-4582 Screening compound: N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide
V006-4582 Screening compound: N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4582
N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]cyclopentanecarboxamide

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

V006-4582

Molecular Formula

C31H31N3O4S (C31 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(C(Nc(cc(C)cc1)c1OC)=C1Sc(cc2)ccc2NC(C2CCCC2)=O)=O)C1=O

InChI

InChI=1S/C31H31N3O4S/c1-19-8-13-23(14-9-19)34-30(36)27(33-25-18-20(2)10-17-26(25)38-3)28(31(34)37)39-24-15-11-22(12-16-24)32-29(35)21-6-4-5-7-21/h8-18,21,33H,4-7H2,1-3H3,(H,32,35)

InChI Key

TXFIMMTTWOSAHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.601

Distribution Coefficient, logD

5.601

Water Solubility, LogSw

-5.25

Polar Surface Area

68.573

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V006-4582 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V006-4582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4582?
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What is the minimum amount of V006-4582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4582
  • 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 V006-4582 available by request