F982-0035 Screening compound: 4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-2-phenyl-1,2-dihydroisoquinolin-1-one

F982-0035 Screening compound: 4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-2-phenyl-1,2-dihydroisoquinolin-1-one
F982-0035 Screening compound: 4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-2-phenyl-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F982-0035
4-{3-[4-(methylsulfanyl)phenyl]-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

F982-0035

Molecular Formula

C24H17N3O2S (C24 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H17N3O2S/c1-30-18-13-11-16(12-14-18)22-25-23(29-26-22)21-15-27(17-7-3-2-4-8-17)24(28)20-10-6-5-9-19(20)21/h2-15H,1H3

InChI Key

WPOROBBUTMEGIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27207294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-4.98

Polar Surface Area

47.160

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

F982-0035 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F982-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F982-0035?
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What is the minimum amount of F982-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F982-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F982-0035
  • 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 F982-0035 available by request