V026-6518 Screening compound: N-(4-{[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide

V026-6518 Screening compound: N-(4-{[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide
V026-6518 Screening compound: N-(4-{[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6518
N-(4-{[1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide

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

V026-6518

Molecular Formula

C32H24F3N3O3S (C32 H24 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(C(N(C1=O)c2ccc(C)cc2)=O)=C1Sc(cc1)ccc1NC(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C32H24F3N3O3S/c1-19-3-11-23(12-4-19)36-27-28(31(41)38(30(27)40)25-15-5-20(2)6-16-25)42-26-17-13-24(14-18-26)37-29(39)21-7-9-22(10-8-21)32(33,34)35/h3-18,36H,1-2H3,(H,37,39)

InChI Key

NOWNSXFGTSBJPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496163

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

587.62

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

6.968

Distribution Coefficient, logD

6.967

Water Solubility, LogSw

-5.80

Polar Surface Area

61.082

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

V026-6518 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 V026-6518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6518?
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What is the minimum amount of V026-6518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6518
  • 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 V026-6518 available by request