P680-0958 Screening compound: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-6-methyl-1,2-dihydroquinolin-2-one

P680-0958 Screening compound: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-6-methyl-1,2-dihydroquinolin-2-one
P680-0958 Screening compound: 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-6-methyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0958
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-6-methyl-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

P680-0958

Molecular Formula

C18H12BrN3O3 (C18 H12 BrN3 O3)

Compound Name

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-6-methyl-1,2-dihydroquinolin-2-one

IUPAC name

3-[3-(4-bromophenyl)-124-oxadiazol-5-yl]-4-hydroxy-6-methyl-12-dihydroquinolin-2-one

SMILES

Cc(cc1)cc(C(O)=C2c3nc(-c(cc4)ccc4Br)no3)c1NC2=O

InChI

InChI=1S/C18H12BrN3O3/c1-9-2-7-13-12(8-9)15(23)14(17(24)20-13)18-21-16(22-25-18)10-3-5-11(19)6-4-10/h2-8H,1H3,(H2,20,23,24)

InChI Key

JYKOTSHVIIFGHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.22

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

4.281

Distribution Coefficient, logD

0.636

Water Solubility, LogSw

-4.17

Polar Surface Area

71.593

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

P680-0958 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 P680-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0958?
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What is the minimum amount of P680-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0958
  • 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 P680-0958 available by request