P680-0646 Screening compound: 1-ethyl-7-fluoro-4-hydroxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one

P680-0646 Screening compound: 1-ethyl-7-fluoro-4-hydroxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one
P680-0646 Screening compound: 1-ethyl-7-fluoro-4-hydroxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0646
1-ethyl-7-fluoro-4-hydroxy-3-[3-(2-methoxyphenyl)-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

P680-0646

Molecular Formula

C20H16FN3O4 (C20 H16 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cc(cc1)F)c1C(O)=C1c2nc(-c(cccc3)c3OC)no2)C1=O

InChI

InChI=1S/C20H16FN3O4/c1-3-24-14-10-11(21)8-9-12(14)17(25)16(20(24)26)19-22-18(23-28-19)13-6-4-5-7-15(13)27-2/h4-10,25H,3H2,1-2H3

InChI Key

QQRDJUGYLDXJTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

-0.296

Water Solubility, LogSw

-3.61

Polar Surface Area

69.445

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P680-0646 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P680-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0646?
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What is the minimum amount of P680-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0646
  • 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 P680-0646 available by request