D327-0009 Screening compound: 3-{1-[2-(2H-1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one

D327-0009 Screening compound: 3-{1-[2-(2H-1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one
D327-0009 Screening compound: 3-{1-[2-(2H-1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl}-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D327-0009
3-{1-[2-(2H-1,3-benzodioxol-5-yl)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

D327-0009

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

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

IUPAC name

3-{1-[2-(2H-13-benzodioxol-5-yl)acetyl]piperidin-4-yl}-5-phenyl-23-dihydro-134-oxadiazol-2-one

SMILES

O=C(Cc(cc1)cc2c1OCO2)N(CC1)CCC1N1N=C(c2ccccc2)OC1=O

InChI

InChI=1S/C22H21N3O5/c26-20(13-15-6-7-18-19(12-15)29-14-28-18)24-10-8-17(9-11-24)25-22(27)30-21(23-25)16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2

InChI Key

YISNSDXPXOUONZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.66

Polar Surface Area

67.839

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D327-0009 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D327-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D327-0009?
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What is the minimum amount of D327-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D327-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D327-0009
  • 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 D327-0009 available by request