D185-0004 Screening compound: 1-(2-methylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine

D185-0004 Screening compound: 1-(2-methylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine
D185-0004 Screening compound: 1-(2-methylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D185-0004
1-(2-methylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]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

D185-0004

Molecular Formula

C20H30N2O (C20 H30 N2 O)

Compound Name

1-(2-methylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine

IUPAC name

1-(2-methylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine

SMILES

Cc(cccc1)c1C(N1C(CCN2CCCCC2)CCCC1)=O

InChI

InChI=1S/C20H30N2O/c1-17-9-3-4-11-19(17)20(23)22-15-8-5-10-18(22)12-16-21-13-6-2-7-14-21/h3-4,9,11,18H,2,5-8,10,12-16H2,1H3/t18-/m1/s1

InChI Key

YZBKGMQNIOICHR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12915331

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

314.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-3.71

Polar Surface Area

20.244

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

D185-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D185-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D185-0004?
Check Price and Availability of D185-0004, 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 D185-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D185-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D185-0004
  • 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 D185-0004 available by request