5593-0002 Screening compound: 1-(4-methoxyphenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione

5593-0002 Screening compound: 1-(4-methoxyphenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
5593-0002 Screening compound: 1-(4-methoxyphenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0002
1-(4-methoxyphenyl)-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

5593-0002

Molecular Formula

C22H22F3N3O3 (C22 H22 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(CC1N(CC2)CCN2c2cccc(C(F)(F)F)c2)=O)C1=O

InChI

InChI=1S/C22H22F3N3O3/c1-31-18-7-5-16(6-8-18)28-20(29)14-19(21(28)30)27-11-9-26(10-12-27)17-4-2-3-15(13-17)22(23,24)25/h2-8,13,19H,9-12,14H2,1H3/t19-/m0/s1

InChI Key

DQIPSSAHATXZIR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00488001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-3.04

Polar Surface Area

42.792

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

5593-0002 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 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 5593-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0002?
Check Price and Availability of 5593-0002, 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 5593-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0002
  • 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 5593-0002 available by request