D079-0052 Screening compound: ethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate

D079-0052 Screening compound: ethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
D079-0052 Screening compound: ethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D079-0052
ethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate

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

D079-0052

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

ethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[(5-phenyl-134-oxadiazol-2-yl)methyl]piperidine-3-carboxylate

SMILES

CCOC(C1CN(Cc2nnc(-c3ccccc3)o2)CCC1)=O

InChI

InChI=1S/C17H21N3O3/c1-2-22-17(21)14-9-6-10-20(11-14)12-15-18-19-16(23-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3/t14-/m0/s1

InChI Key

URGGIWHBTZTAKC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07423481

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.20

Polar Surface Area

54.839

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

D079-0052 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D079-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D079-0052?
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What is the minimum amount of D079-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D079-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D079-0052
  • 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 D079-0052 available by request