D327-0014 Screening compound: 3-{1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one

D327-0014 Screening compound: 3-{1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one
D327-0014 Screening compound: 3-{1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D327-0014
3-{1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-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

D327-0014

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

3-{1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one

IUPAC name

3-{1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl}-5-phenyl-23-dihydro-134-oxadiazol-2-one

SMILES

CCOc1ccc(CC(N(CC2)CCC2N2N=C(c3ccccc3)OC2=O)=O)cc1

InChI

InChI=1S/C23H25N3O4/c1-2-29-20-10-8-17(9-11-20)16-21(27)25-14-12-19(13-15-25)26-23(28)30-22(24-26)18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3

InChI Key

PAOKFWIGURVSMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.92

Polar Surface Area

57.847

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D327-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D327-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D327-0014?
Check Price and Availability of D327-0014, 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 D327-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D327-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D327-0014
  • 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 D327-0014 available by request