8010-9660 Screening compound: 4,5-bis(pyridin-3-yloxy)phthalonitrile

8010-9660 Screening compound: 4,5-bis(pyridin-3-yloxy)phthalonitrile
8010-9660 Screening compound: 4,5-bis(pyridin-3-yloxy)phthalonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9660
4,5-bis(pyridin-3-yloxy)phthalonitrile

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

8010-9660

Molecular Formula

C18H10N4O2 (C18 H10 N4 O2)

Compound Name

4,5-bis(pyridin-3-yloxy)phthalonitrile

IUPAC name

45-bis(pyridin-3-yloxy)benzene-12-dicarbonitrile

SMILES

N#Cc(c(C#N)c1)cc(Oc2cnccc2)c1Oc1cnccc1

InChI

InChI=1S/C18H10N4O2/c19-9-13-7-17(23-15-3-1-5-21-11-15)18(8-14(13)10-20)24-16-4-2-6-22-12-16/h1-8,11-12H

InChI Key

OGVJGKXQSAQKMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00830450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.20

Polar Surface Area

67.055

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8010-9660 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-9660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9660?
Check Price and Availability of 8010-9660, 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 8010-9660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9660
  • 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 8010-9660 available by request