0477-0062 Screening compound: 5-(2-chlorophenyl)-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole

0477-0062 Screening compound: 5-(2-chlorophenyl)-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole
0477-0062 Screening compound: 5-(2-chlorophenyl)-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0477-0062
5-(2-chlorophenyl)-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-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

0477-0062

Molecular Formula

C25H23ClN2O (C25 H23 ClN2 O)

Compound Name

5-(2-chlorophenyl)-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole

IUPAC name

5-(2-chlorophenyl)-3-{4'-pentyl-[11'-biphenyl]-4-yl}-124-oxadiazole

SMILES

CCCCCc(cc1)ccc1-c(cc1)ccc1-c1noc(-c(cccc2)c2Cl)n1

InChI

InChI=1S/C25H23ClN2O/c1-2-3-4-7-18-10-12-19(13-11-18)20-14-16-21(17-15-20)24-27-25(29-28-24)22-8-5-6-9-23(22)26/h5-6,8-17H,2-4,7H2,1H3

InChI Key

WFPPZZGQRLULSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00635497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.918

Distribution Coefficient, logD

8.918

Water Solubility, LogSw

-6.52

Polar Surface Area

31.373

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0477-0062 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0477-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0477-0062?
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What is the minimum amount of 0477-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0477-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0477-0062
  • 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 0477-0062 available by request