V026-5460 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide

V026-5460 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
V026-5460 Screening compound: N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5460
N-[4-({4-[(2,4-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-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

V026-5460

Molecular Formula

C28H23N3O7S (C28 H23 N3 O7 S)

Compound Name

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

IUPAC name

N-[4-({4-[(24-dimethoxyphenyl)amino]-1-[(furan-2-yl)methyl]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc(cc1)ccc1NC(c1ccco1)=O

InChI

InChI=1S/C28H23N3O7S/c1-35-18-9-12-21(23(15-18)36-2)30-24-25(28(34)31(27(24)33)16-19-5-3-13-37-19)39-20-10-7-17(8-11-20)29-26(32)22-6-4-14-38-22/h3-15,30H,16H2,1-2H3,(H,29,32)

InChI Key

WMJJIHQSAOGZNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497476

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.36

Polar Surface Area

92.498

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V026-5460 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-5460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5460?
Check Price and Availability of V026-5460, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V026-5460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5460
  • 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 V026-5460 available by request