4239-0561 Screening compound: 1-{2-[(3-chlorophenyl)carbamoyl]ethyl}piperidine-4-carboxamide

4239-0561 Screening compound: 1-{2-[(3-chlorophenyl)carbamoyl]ethyl}piperidine-4-carboxamide
4239-0561 Screening compound: 1-{2-[(3-chlorophenyl)carbamoyl]ethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4239-0561
1-{2-[(3-chlorophenyl)carbamoyl]ethyl}piperidine-4-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

4239-0561

Molecular Formula

C15H20ClN3O2 (C15 H20 ClN3 O2)

Compound Name

1-{2-[(3-chlorophenyl)carbamoyl]ethyl}piperidine-4-carboxamide

IUPAC name

1-{2-[(3-chlorophenyl)carbamoyl]ethyl}piperidine-4-carboxamide

SMILES

NC(C1CCN(CCC(Nc2cccc(Cl)c2)=O)CC1)=O

InChI

InChI=1S/C15H20ClN3O2/c16-12-2-1-3-13(10-12)18-14(20)6-9-19-7-4-11(5-8-19)15(17)21/h1-3,10-11H,4-9H2,(H2,17,21)(H,18,20)

InChI Key

LLCJFFWSHVFBRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.432

Distribution Coefficient, logD

-0.610

Water Solubility, LogSw

-2.53

Polar Surface Area

61.158

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

4239-0561 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Proline Kinase Library (2105 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 4239-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4239-0561?
Check Price and Availability of 4239-0561, 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 4239-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4239-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4239-0561
  • 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 4239-0561 available by request