V029-8408 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide

V029-8408 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
V029-8408 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8408
N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(4-fluorophenyl)-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

V029-8408

Molecular Formula

C29H22FN3O6S (C29 H22 FN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(OC)c1NC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Sc1cc(NC(c2ccco2)=O)ccc1

InChI

InChI=1S/C29H22FN3O6S/c1-37-20-12-13-22(24(16-20)38-2)32-25-26(29(36)33(28(25)35)19-10-8-17(30)9-11-19)40-21-6-3-5-18(15-21)31-27(34)23-7-4-14-39-23/h3-16,32H,1-2H3,(H,31,34)

InChI Key

VGEGKAUAGOYBPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497494

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.40

Polar Surface Area

84.137

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

V029-8408 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 V029-8408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8408?
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What is the minimum amount of V029-8408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8408
  • 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 V029-8408 available by request