5593-0355 Screening compound: 4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid

5593-0355 Screening compound: 4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid
5593-0355 Screening compound: 4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0355
4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid

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

5593-0355

Molecular Formula

C22H20F3N3O4 (C22 H20 F3 N3 O4)

Compound Name

4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid

IUPAC name

4-(25-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid

SMILES

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

InChI

InChI=1S/C22H20F3N3O4/c23-22(24,25)15-2-1-3-17(12-15)26-8-10-27(11-9-26)18-13-19(29)28(20(18)30)16-6-4-14(5-7-16)21(31)32/h1-7,12,18H,8-11,13H2,(H,31,32)/t18-/m0/s1

InChI Key

AWDFOJFFZDKVDA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00469962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

0.111

Water Solubility, LogSw

-2.60

Polar Surface Area

63.656

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5593-0355 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5593-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0355?
Check Price and Availability of 5593-0355, 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 5593-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0355
  • 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 5593-0355 available by request