3177-0039 Screening compound: 3,5-diethyl-2,6-diphenylpiperidin-4-one

3177-0039 Screening compound: 3,5-diethyl-2,6-diphenylpiperidin-4-one
3177-0039 Screening compound: 3,5-diethyl-2,6-diphenylpiperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3177-0039
3,5-diethyl-2,6-diphenylpiperidin-4-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

3177-0039

Molecular Formula

C21H25NO (C21 H25 NO)

Compound Name

3,5-diethyl-2,6-diphenylpiperidin-4-one

IUPAC name

35-diethyl-26-diphenylpiperidin-4-one

SMILES

CCC(C(c1ccccc1)NC(C1CC)c2ccccc2)C1=O

InChI

InChI=1S/C21H25NO/c1-3-17-19(15-11-7-5-8-12-15)22-20(18(4-2)21(17)23)16-13-9-6-10-14-16/h5-14,17-20,22H,3-4H2,1-2H3

InChI Key

UWLZKFVZABBKHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01107171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.51

Polar Surface Area

25.894

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.10

3177-0039 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3177-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3177-0039?
Check Price and Availability of 3177-0039, 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 3177-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3177-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3177-0039
  • 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 3177-0039 available by request