F594-0022 Screening compound: N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(trifluoromethyl)benzamide

F594-0022 Screening compound: N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(trifluoromethyl)benzamide
F594-0022 Screening compound: N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0022
N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-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

F594-0022

Molecular Formula

C22H29F3N4O3 (C22 H29 F3 N4 O3)

Compound Name

N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(trifluoromethyl)benzamide

SMILES

O=C(CCN(CCCN(CCC1)C1=O)C(c1ccc(C(F)(F)F)cc1)=O)N1CCNCC1

InChI

InChI=1S/C22H29F3N4O3/c23-22(24,25)18-6-4-17(5-7-18)21(32)29(13-2-12-27-11-1-3-19(27)30)14-8-20(31)28-15-9-26-10-16-28/h4-7,26H,1-3,8-16H2

InChI Key

REPLFMHPNFSABH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177834

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

454.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.042

Distribution Coefficient, logD

-0.786

Water Solubility, LogSw

-1.62

Polar Surface Area

62.000

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

F594-0022 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F594-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0022?
Check Price and Availability of F594-0022, 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 F594-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0022
  • 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 F594-0022 available by request