V025-8851 Screening compound: N-[4-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

V025-8851 Screening compound: N-[4-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
V025-8851 Screening compound: N-[4-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8851
N-[4-({4-[(4-fluorophenyl)amino]-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-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

V025-8851

Molecular Formula

C28H23F4N3O3S (C28 H23 F4 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(Nc(cc1)ccc1SC(C(N(C1=O)c2ccc(C(F)(F)F)cc2)=O)=C1Nc(cc1)ccc1F)=O

InChI

InChI=1S/C28H23F4N3O3S/c1-16(2)15-23(36)33-19-9-13-22(14-10-19)39-25-24(34-20-7-5-18(29)6-8-20)26(37)35(27(25)38)21-11-3-17(4-12-21)28(30,31)32/h3-14,16,34H,15H2,1-2H3,(H,33,36)

InChI Key

YFVQUGYNBSRROS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.948

Distribution Coefficient, logD

5.948

Water Solubility, LogSw

-5.59

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

17.90

V025-8851 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V025-8851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8851?
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What is the minimum amount of V025-8851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8851
  • 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 V025-8851 available by request