P680-0451 Screening compound: 6-chloro-4-hydroxy-3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one

P680-0451 Screening compound: 6-chloro-4-hydroxy-3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one
P680-0451 Screening compound: 6-chloro-4-hydroxy-3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0451
6-chloro-4-hydroxy-3-[3-(pyridin-2-yl)-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

P680-0451

Molecular Formula

C16H9ClN4O3 (C16 H9 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc(cc1)Cl)c1N1)=C(c2nc(-c3ncccc3)no2)C1=O

InChI

InChI=1S/C16H9ClN4O3/c17-8-4-5-10-9(7-8)13(22)12(15(23)19-10)16-20-14(21-24-16)11-3-1-2-6-18-11/h1-7H,(H2,19,22,23)

InChI Key

HKHZSCJMBULGTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22684191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.346

Distribution Coefficient, logD

-2.058

Water Solubility, LogSw

-3.31

Polar Surface Area

80.641

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P680-0451 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P680-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0451?
Check Price and Availability of P680-0451, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P680-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0451
  • 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 P680-0451 available by request