V026-5504 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide

V026-5504 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
V026-5504 Screening compound: N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5504
N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide

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

V026-5504

Molecular Formula

C27H23F2N3O3S (C27 H23 F2 N3 O3 S)

Compound Name

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

IUPAC name

N-(4-{[1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)ccc1SC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Nc(cc1)ccc1F)=O

InChI

InChI=1S/C27H23F2N3O3S/c1-16(2)15-23(33)30-19-9-13-22(14-10-19)36-25-24(31-20-7-3-17(28)4-8-20)26(34)32(27(25)35)21-11-5-18(29)6-12-21/h3-14,16,31H,15H2,1-2H3,(H,30,33)

InChI Key

UPMOAKUMSYCBAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497518

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-4.84

Polar Surface Area

61.141

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V026-5504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5504?
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What is the minimum amount of V026-5504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5504
  • 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 V026-5504 available by request