F982-0009 Screening compound: 4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1,2-dihydroisoquinolin-1-one

F982-0009 Screening compound: 4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1,2-dihydroisoquinolin-1-one
F982-0009 Screening compound: 4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F982-0009
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1,2-dihydroisoquinolin-1-one

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

F982-0009

Molecular Formula

C25H19N3O3 (C25 H19 N3 O3)

Compound Name

4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1,2-dihydroisoquinolin-1-one

IUPAC name

4-[3-(4-ethoxyphenyl)-124-oxadiazol-5-yl]-2-phenyl-12-dihydroisoquinolin-1-one

SMILES

CCOc(cc1)ccc1-c1noc(C(c2c3cccc2)=CN(c2ccccc2)C3=O)n1

InChI

InChI=1S/C25H19N3O3/c1-2-30-19-14-12-17(13-15-19)23-26-24(31-27-23)22-16-28(18-8-4-3-5-9-18)25(29)21-11-7-6-10-20(21)22/h3-16H,2H2,1H3

InChI Key

URCWALUVEDTKNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27207278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-4.53

Polar Surface Area

54.284

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F982-0009 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F982-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F982-0009?
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What is the minimum amount of F982-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F982-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F982-0009
  • 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 F982-0009 available by request