D185-0012 Screening compound: 1-(4-bromobenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine

D185-0012 Screening compound: 1-(4-bromobenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine
D185-0012 Screening compound: 1-(4-bromobenzoyl)-2-[2-(piperidin-1-yl)ethyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D185-0012
1-(4-bromobenzoyl)-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

D185-0012

Molecular Formula

C19H27BrN2O (C19 H27 BrN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Br)N1C(CCN2CCCCC2)CCCC1

InChI

InChI=1S/C19H27BrN2O/c20-17-9-7-16(8-10-17)19(23)22-14-5-2-6-18(22)11-15-21-12-3-1-4-13-21/h7-10,18H,1-6,11-15H2/t18-/m1/s1

InChI Key

DMCYYQGXWXLINC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12914939

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

379.34

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

4.202

Distribution Coefficient, logD

2.415

Water Solubility, LogSw

-4.07

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

63.20

D185-0012 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D185-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D185-0012?
Check Price and Availability of D185-0012, 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 D185-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D185-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D185-0012
  • 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 D185-0012 available by request