V026-6735 Screening compound: N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide

V026-6735 Screening compound: N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
V026-6735 Screening compound: N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6735
N-[4-({4-[(2-methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-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

V026-6735

Molecular Formula

C27H27N3O6S (C27 H27 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(C(N(CCCOC)C2=O)=O)=C2Sc(cc2)ccc2NC(c2ccco2)=O)c1OC

InChI

InChI=1S/C27H27N3O6S/c1-17-7-12-21(35-3)20(16-17)29-23-24(27(33)30(26(23)32)13-5-14-34-2)37-19-10-8-18(9-11-19)28-25(31)22-6-4-15-36-22/h4,6-12,15-16,29H,5,13-14H2,1-3H3,(H,28,31)

InChI Key

KGMYPRIEZAYRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496971

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-3.89

Polar Surface Area

85.797

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V026-6735 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V026-6735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6735?
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What is the minimum amount of V026-6735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6735
  • 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 V026-6735 available by request