8018-9553 Screening compound: 2-(2,4-difluorophenoxy)pyridine-4-carbonitrile

8018-9553 Screening compound: 2-(2,4-difluorophenoxy)pyridine-4-carbonitrile
8018-9553 Screening compound: 2-(2,4-difluorophenoxy)pyridine-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9553
2-(2,4-difluorophenoxy)pyridine-4-carbonitrile

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

8018-9553

Molecular Formula

C12H6F2N2O (C12 H6 F2 N2 O)

Compound Name

2-(2,4-difluorophenoxy)pyridine-4-carbonitrile

IUPAC name

2-(24-difluorophenoxy)pyridine-4-carbonitrile

SMILES

N#Cc1cc(Oc(ccc(F)c2)c2F)ncc1

InChI

InChI=1S/C12H6F2N2O/c13-9-1-2-11(10(14)6-9)17-12-5-8(7-15)3-4-16-12/h1-6H

InChI Key

FJJJDOMXFQVGJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-2.80

Polar Surface Area

33.077

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-9553 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9553?
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What is the minimum amount of 8018-9553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9553
  • 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 8018-9553 available by request