8020-1664 Screening compound: 3,4-dicyano-6-(4-methoxyphenyl)-2-pyridinolate

8020-1664 Screening compound: 3,4-dicyano-6-(4-methoxyphenyl)-2-pyridinolate
8020-1664 Screening compound: 3,4-dicyano-6-(4-methoxyphenyl)-2-pyridinolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1664
3,4-dicyano-6-(4-methoxyphenyl)-2-pyridinolate

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

8020-1664

Molecular Formula

C14H8N3O2 (C14 H8 N3 O2)

Compound Name

3,4-dicyano-6-(4-methoxyphenyl)-2-pyridinolate

IUPAC name

34-dicyano-6-(4-methoxyphenyl)pyridin-2-olate

SMILES

COc(cc1)ccc1-c(cc1C#N)nc([O-])c1C#N

InChI

InChI=1S/C14H9N3O2/c1-19-11-4-2-9(3-5-11)13-6-10(7-15)12(8-16)14(18)17-13/h2-6H,1H3,(H,17,18)/p-1

InChI Key

URFLWLCGNMVPTP-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

K+

Molecular Weight

250.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

2.414

Water Solubility, LogSw

-2.70

Polar Surface Area

67.199

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8020-1664 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1664?
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What is the minimum amount of 8020-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1664
  • 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 8020-1664 available by request