5593-0405 Screening compound: 1-(4-fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione

5593-0405 Screening compound: 1-(4-fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
5593-0405 Screening compound: 1-(4-fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0405
1-(4-fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione

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

5593-0405

Molecular Formula

C21H19F4N3O2 (C21 H19 F4 N3 O2)

Compound Name

1-(4-fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione

IUPAC name

1-(4-fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(CC2)CCN2c2cc(C(F)(F)F)ccc2)N1c(cc1)ccc1F

InChI

InChI=1S/C21H19F4N3O2/c22-15-4-6-16(7-5-15)28-19(29)13-18(20(28)30)27-10-8-26(9-11-27)17-3-1-2-14(12-17)21(23,24)25/h1-7,12,18H,8-11,13H2/t18-/m1/s1

InChI Key

BDTZMOHFSHVYRE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00717074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-2.90

Polar Surface Area

35.248

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5593-0405 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5593-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0405?
Check Price and Availability of 5593-0405, 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 5593-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0405
  • 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 5593-0405 available by request