4813-1781 Screening compound: 5-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole

4813-1781 Screening compound: 5-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole
4813-1781 Screening compound: 5-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-1781
5-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole

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

4813-1781

Molecular Formula

C15H18N2O2 (C15 H18 N2 O2)

Compound Name

5-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-cyclohexyl-3-(4-methoxyphenyl)-124-oxadiazole

SMILES

COc(cc1)ccc1-c1noc(C2CCCCC2)n1

InChI

InChI=1S/C15H18N2O2/c1-18-13-9-7-11(8-10-13)14-16-15(19-17-14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3

InChI Key

APGNGFWJBVCSRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03297917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.64

Polar Surface Area

39.380

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

4813-1781 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4813-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-1781?
Check Price and Availability of 4813-1781, 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 4813-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-1781
  • 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 4813-1781 available by request