P680-0561 Screening compound: 7-fluoro-4-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one

P680-0561 Screening compound: 7-fluoro-4-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one
P680-0561 Screening compound: 7-fluoro-4-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0561
7-fluoro-4-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-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

P680-0561

Molecular Formula

C18H12FN3O3 (C18 H12 FN3 O3)

Compound Name

7-fluoro-4-hydroxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one

IUPAC name

7-fluoro-4-hydroxy-3-[3-(2-methylphenyl)-124-oxadiazol-5-yl]-12-dihydroquinolin-2-one

SMILES

Cc(cccc1)c1-c1noc(C(C(Nc2c3ccc(F)c2)=O)=C3O)n1

InChI

InChI=1S/C18H12FN3O3/c1-9-4-2-3-5-11(9)16-21-18(25-22-16)14-15(23)12-7-6-10(19)8-13(12)20-17(14)24/h2-8H,1H3,(H2,20,23,24)

InChI Key

LWVYANZXDYWUJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22684169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

-1.041

Water Solubility, LogSw

-3.46

Polar Surface Area

71.593

Acid Dissociation Constant (pKa)

3.43

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

P680-0561 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P680-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0561?
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What is the minimum amount of P680-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0561
  • 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 P680-0561 available by request