8018-4696 Screening compound: 3-isopropyl-2,6-diphenyltetrahydro-4(1H)-pyridinone

8018-4696 Screening compound: 3-isopropyl-2,6-diphenyltetrahydro-4(1H)-pyridinone
8018-4696 Screening compound: 3-isopropyl-2,6-diphenyltetrahydro-4(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4696
3-isopropyl-2,6-diphenyltetrahydro-4(1H)-pyridinone

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

8018-4696

Molecular Formula

C20H23NO (C20 H23 NO)

Compound Name

3-isopropyl-2,6-diphenyltetrahydro-4(1H)-pyridinone

IUPAC name

26-diphenyl-3-(propan-2-yl)piperidin-4-one

SMILES

CC(C)C(C(c1ccccc1)NC(C1)c2ccccc2)C1=O

InChI

InChI=1S/C20H23NO/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21H,13H2,1-2H3

InChI Key

LXVGVXNRKSJPEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00757017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-4.37

Polar Surface Area

25.837

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

8018-4696 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-4696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4696?
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What is the minimum amount of 8018-4696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4696
  • 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 8018-4696 available by request