5979-0159 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)piperidine

5979-0159 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)piperidine
5979-0159 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5979-0159
1-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)piperidine

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

5979-0159

Molecular Formula

C18H25ClN2O (C18 H25 ClN2 O)

Compound Name

1-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)piperidine

IUPAC name

1-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)piperidine

SMILES

O=C(C1CN(Cc(cccc2)c2Cl)CCC1)N1CCCCC1

InChI

InChI=1S/C18H25ClN2O/c19-17-9-3-2-7-15(17)13-20-10-6-8-16(14-20)18(22)21-11-4-1-5-12-21/h2-3,7,9,16H,1,4-6,8,10-14H2/t16-/m0/s1

InChI Key

YJIJWKMUBGQTJC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03615727

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

320.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.180

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.27

Polar Surface Area

20.553

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

5979-0159 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with 5979-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5979-0159?
Check Price and Availability of 5979-0159, 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 5979-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5979-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5979-0159
  • 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 5979-0159 available by request