D185-0005 Screening compound: 1-(4-tert-butylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine

D185-0005 Screening compound: 1-(4-tert-butylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine
D185-0005 Screening compound: 1-(4-tert-butylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D185-0005
1-(4-tert-butylbenzoyl)-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

D185-0005

Molecular Formula

C23H36N2O (C23 H36 N2 O)

Compound Name

1-(4-tert-butylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine

IUPAC name

1-(4-tert-butylbenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine

SMILES

CC(C)(C)c(cc1)ccc1C(N1C(CCN2CCCCC2)CCCC1)=O

InChI

InChI=1S/C23H36N2O/c1-23(2,3)20-12-10-19(11-13-20)22(26)25-17-8-5-9-21(25)14-18-24-15-6-4-7-16-24/h10-13,21H,4-9,14-18H2,1-3H3/t21-/m1/s1

InChI Key

KJBNPDHVQMIBAD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD12915336

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

356.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-4.86

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

69.60

D185-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D185-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D185-0005?
Check Price and Availability of D185-0005, 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 D185-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D185-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D185-0005
  • 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 D185-0005 available by request