C614-5728 Screening compound: 1-benzoyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine

C614-5728 Screening compound: 1-benzoyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine
C614-5728 Screening compound: 1-benzoyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5728
1-benzoyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine

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

C614-5728

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

1-benzoyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine

IUPAC name

1-benzoyl-4-[5-(2-methoxyphenyl)-134-oxadiazol-2-yl]piperidine

SMILES

COc(cccc1)c1-c1nnc(C(CC2)CCN2C(c2ccccc2)=O)o1

InChI

InChI=1S/C21H21N3O3/c1-26-18-10-6-5-9-17(18)20-23-22-19(27-20)15-11-13-24(14-12-15)21(25)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3

InChI Key

IUYUTRXOXIZFOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.28

Polar Surface Area

54.761

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C614-5728 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-5728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5728?
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What is the minimum amount of C614-5728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5728
  • 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 C614-5728 available by request