8016-9518 Screening compound: 5-benzhydryl-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole

8016-9518 Screening compound: 5-benzhydryl-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole
8016-9518 Screening compound: 5-benzhydryl-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9518
5-benzhydryl-3-(2-methyl-4-quinolyl)-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

8016-9518

Molecular Formula

C25H19N3O (C25 H19 N3 O)

Compound Name

5-benzhydryl-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole

IUPAC name

4-[5-(diphenylmethyl)-124-oxadiazol-3-yl]-2-methylquinoline

SMILES

Cc1nc2ccccc2c(-c2noc(C(c3ccccc3)c3ccccc3)n2)c1

InChI

InChI=1S/C25H19N3O/c1-17-16-21(20-14-8-9-15-22(20)26-17)24-27-25(29-28-24)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,23H,1H3

InChI Key

PUGQNJAJHJEFRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.280

Distribution Coefficient, logD

6.279

Water Solubility, LogSw

-5.98

Polar Surface Area

39.510

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

8016-9518 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-9518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9518?
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What is the minimum amount of 8016-9518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9518
  • 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 8016-9518 available by request