5979-0161 Screening compound: 1-{1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl}azepane

5979-0161 Screening compound: 1-{1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl}azepane
5979-0161 Screening compound: 1-{1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 5979-0161
1-{1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl}azepane

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

5979-0161

Molecular Formula

C19H27ClN2O (C19 H27 ClN2 O)

Compound Name

1-{1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl}azepane

IUPAC name

1-{1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl}azepane

SMILES

O=C(C1CN(Cc2cccc(Cl)c2)CCC1)N1CCCCCC1

InChI

InChI=1S/C19H27ClN2O/c20-18-9-5-7-16(13-18)14-21-10-6-8-17(15-21)19(23)22-11-3-1-2-4-12-22/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2/t17-/m0/s1

InChI Key

BKCYIAHMYRQOMY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03615729

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

334.89

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

3.694

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-4.00

Polar Surface Area

20.884

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

5979-0161 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5979-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5979-0161?
Check Price and Availability of 5979-0161, 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 5979-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5979-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5979-0161
  • 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 5979-0161 available by request