V026-9101 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

V026-9101 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide
V026-9101 Screening compound: N-[4-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9101
N-[4-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

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

V026-9101

Molecular Formula

C31H27N3O4S (C31 H27 N3 O4 S)

Compound Name

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

IUPAC name

N-[4-({1-[(furan-2-yl)methyl]-4-[(4-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-phenylpropanamide

SMILES

Cc(cc1)ccc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc(cc1)ccc1NC(CCc1ccccc1)=O

InChI

InChI=1S/C31H27N3O4S/c1-21-9-12-24(13-10-21)33-28-29(31(37)34(30(28)36)20-25-8-5-19-38-25)39-26-16-14-23(15-17-26)32-27(35)18-11-22-6-3-2-4-7-22/h2-10,12-17,19,33H,11,18,20H2,1H3,(H,32,35)

InChI Key

UHXXUQQUWGUFLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497211

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.769

Distribution Coefficient, logD

5.769

Water Solubility, LogSw

-5.44

Polar Surface Area

69.229

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V026-9101 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V026-9101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9101?
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What is the minimum amount of V026-9101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9101
  • 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 V026-9101 available by request