3454-0946 Screening compound: 1-(4-benzylpiperidin-1-yl)-2-(4-bromophenyl)ethan-1-one

3454-0946 Screening compound: 1-(4-benzylpiperidin-1-yl)-2-(4-bromophenyl)ethan-1-one
3454-0946 Screening compound: 1-(4-benzylpiperidin-1-yl)-2-(4-bromophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-0946
1-(4-benzylpiperidin-1-yl)-2-(4-bromophenyl)ethan-1-one

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

3454-0946

Molecular Formula

C20H22BrNO (C20 H22 BrNO)

Compound Name

1-(4-benzylpiperidin-1-yl)-2-(4-bromophenyl)ethan-1-one

IUPAC name

1-(4-benzylpiperidin-1-yl)-2-(4-bromophenyl)ethan-1-one

SMILES

O=C(Cc(cc1)ccc1Br)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C20H22BrNO/c21-19-8-6-17(7-9-19)15-20(23)22-12-10-18(11-13-22)14-16-4-2-1-3-5-16/h1-9,18H,10-15H2

InChI Key

DWTDMLSBCKDZDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02038770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.42

Polar Surface Area

16.088

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3454-0946 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 3454-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-0946?
Check Price and Availability of 3454-0946, 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 3454-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-0946
  • 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 3454-0946 available by request