8001-5992 Screening compound: 1-phenyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione

8001-5992 Screening compound: 1-phenyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
8001-5992 Screening compound: 1-phenyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5992
1-phenyl-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

8001-5992

Molecular Formula

C21H20F3N3O2 (C21 H20 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1=O)N(CC2)CCN2c2cccc(C(F)(F)F)c2)N1c1ccccc1

InChI

InChI=1S/C21H20F3N3O2/c22-21(23,24)15-5-4-8-17(13-15)25-9-11-26(12-10-25)18-14-19(28)27(20(18)29)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2/t18-/m0/s1

InChI Key

DVDPXUAXIQAMEC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00488095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

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

2.536

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-2.85

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

8001-5992 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8001-5992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5992?
Check Price and Availability of 8001-5992, 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 8001-5992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5992
  • 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 8001-5992 available by request