8001-0186 Screening compound: (4-hydroxy-1-methyl-4-phenyl-3-piperidyl)(phenyl)methanone

8001-0186 Screening compound: (4-hydroxy-1-methyl-4-phenyl-3-piperidyl)(phenyl)methanone
8001-0186 Screening compound: (4-hydroxy-1-methyl-4-phenyl-3-piperidyl)(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-0186
(4-hydroxy-1-methyl-4-phenyl-3-piperidyl)(phenyl)methanone

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

8001-0186

Molecular Formula

C19H21NO2 (C19 H21 NO2)

Compound Name

(4-hydroxy-1-methyl-4-phenyl-3-piperidyl)(phenyl)methanone

IUPAC name

3-benzoyl-1-methyl-4-phenylpiperidin-4-ol

SMILES

CN(CCC1(c2ccccc2)O)CC1C(c1ccccc1)=O

InChI

InChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3

InChI Key

TVRFABREAYQAQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00086343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

1.965

Water Solubility, LogSw

-2.29

Polar Surface Area

32.035

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

8001-0186 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8001-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-0186?
Check Price and Availability of 8001-0186, 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 8001-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-0186
  • 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 8001-0186 available by request