P680-0644 Screening compound: 1-ethyl-7-fluoro-4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one

P680-0644 Screening compound: 1-ethyl-7-fluoro-4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one
P680-0644 Screening compound: 1-ethyl-7-fluoro-4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0644
1-ethyl-7-fluoro-4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-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

P680-0644

Molecular Formula

C20H16FN3O3S (C20 H16 FN3 O3 S)

Compound Name

1-ethyl-7-fluoro-4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one

IUPAC name

1-ethyl-7-fluoro-4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-124-oxadiazol-5-yl}-12-dihydroquinolin-2-one

SMILES

CCN(c(cc(cc1)F)c1C(O)=C1c2nc(-c(cc3)ccc3SC)no2)C1=O

InChI

InChI=1S/C20H16FN3O3S/c1-3-24-15-10-12(21)6-9-14(15)17(25)16(20(24)26)19-22-18(23-27-19)11-4-7-13(28-2)8-5-11/h4-10,25H,3H2,1-2H3

InChI Key

ISMQOJSTYNSBAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

0.889

Water Solubility, LogSw

-4.33

Polar Surface Area

61.814

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P680-0644 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P680-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0644?
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What is the minimum amount of P680-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0644
  • 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 P680-0644 available by request