C599-0819 Screening compound: ethyl 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxylate

C599-0819 Screening compound: ethyl 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxylate
C599-0819 Screening compound: ethyl 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0819
ethyl 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-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

C599-0819

Molecular Formula

C17H20ClN3O3 (C17 H20 ClN3 O3)

Compound Name

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

IUPAC name

ethyl 1-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(Cc2nc(-c(cc3)ccc3Cl)no2)CC1)=O

InChI

InChI=1S/C17H20ClN3O3/c1-2-23-17(22)13-7-9-21(10-8-13)11-15-19-16(20-24-15)12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3

InChI Key

AMXOXXXCLZCYME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00119152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.82

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

3.681

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.11

Polar Surface Area

56.068

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C599-0819 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C599-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0819?
Check Price and Availability of C599-0819, 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 C599-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0819
  • 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 C599-0819 available by request