F345-0096 Screening compound: N-(3-chlorophenyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carboxamide

F345-0096 Screening compound: N-(3-chlorophenyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carboxamide
F345-0096 Screening compound: N-(3-chlorophenyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F345-0096
N-(3-chlorophenyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carboxamide

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

F345-0096

Molecular Formula

C23H28ClN5O2 (C23 H28 ClN5 O2)

Compound Name

N-(3-chlorophenyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carboxamide

IUPAC name

N-(3-chlorophenyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carboxamide

SMILES

O=C(CC(CC1)CCN1C(Nc1cccc(Cl)c1)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C23H28ClN5O2/c24-19-4-3-5-20(17-19)26-23(31)29-10-7-18(8-11-29)16-22(30)28-14-12-27(13-15-28)21-6-1-2-9-25-21/h1-6,9,17-18H,7-8,10-16H2,(H,26,31)

InChI Key

BGASUWSXPCTYSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27117102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-4.28

Polar Surface Area

53.600

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

F345-0096 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with F345-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F345-0096?
Check Price and Availability of F345-0096, 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 F345-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F345-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F345-0096
  • 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 F345-0096 available by request