8018-9858 Screening compound: 3-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide

8018-9858 Screening compound: 3-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
8018-9858 Screening compound: 3-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9858
3-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide

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

8018-9858

Molecular Formula

C24H21N3O3 (C24 H21 N3 O3)

Compound Name

3-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide

IUPAC name

3-(4-methoxyphenyl)-N-[2-(3-phenyl-124-oxadiazol-5-yl)phenyl]propanamide

SMILES

COc1ccc(CCC(Nc(cccc2)c2-c2nc(-c3ccccc3)no2)=O)cc1

InChI

InChI=1S/C24H21N3O3/c1-29-19-14-11-17(12-15-19)13-16-22(28)25-21-10-6-5-9-20(21)24-26-23(27-30-24)18-7-3-2-4-8-18/h2-12,14-15H,13,16H2,1H3,(H,25,28)

InChI Key

RCPUARQDIACSEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

5.018

Water Solubility, LogSw

-4.65

Polar Surface Area

61.368

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-9858 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-9858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9858?
Check Price and Availability of 8018-9858, 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 8018-9858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9858
  • 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 8018-9858 available by request