F594-0880 Screening compound: 3-chloro-4-fluoro-N-(3-oxo-3-piperazinopropyl)-N-(2-piperidinoethyl)benzamide

F594-0880 Screening compound: 3-chloro-4-fluoro-N-(3-oxo-3-piperazinopropyl)-N-(2-piperidinoethyl)benzamide
F594-0880 Screening compound: 3-chloro-4-fluoro-N-(3-oxo-3-piperazinopropyl)-N-(2-piperidinoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0880
3-chloro-4-fluoro-N-(3-oxo-3-piperazinopropyl)-N-(2-piperidinoethyl)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

F594-0880

Molecular Formula

C21H30ClFN4O2 (C21 H30 ClFN4 O2)

Compound Name

3-chloro-4-fluoro-N-(3-oxo-3-piperazinopropyl)-N-(2-piperidinoethyl)benzamide

IUPAC name

3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

SMILES

O=C(CCN(CCN1CCCCC1)C(c(cc1)cc(Cl)c1F)=O)N1CCNCC1

InChI

InChI=1S/C21H30ClFN4O2/c22-18-16-17(4-5-19(18)23)21(29)27(15-14-25-9-2-1-3-10-25)11-6-20(28)26-12-7-24-8-13-26/h4-5,16,24H,1-3,6-15H2

InChI Key

PIWXGESYSXYXSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178312

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.829

Distribution Coefficient, logD

0.002

Water Solubility, LogSw

-2.71

Polar Surface Area

48.470

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

F594-0880 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 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 F594-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0880?
Check Price and Availability of F594-0880, 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 F594-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0880
  • 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 F594-0880 available by request