F839-1111 Screening compound: 6-(2H-1,3-BENZODIOXOL-5-YL)-2-{[3-(4-CHLORO-3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-2,3-DIHYDROPYRIDAZIN-3-ONE

F839-1111 Screening compound: 6-(2H-1,3-BENZODIOXOL-5-YL)-2-{[3-(4-CHLORO-3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-2,3-DIHYDROPYRIDAZIN-3-ONE
F839-1111 Screening compound: 6-(2H-1,3-BENZODIOXOL-5-YL)-2-{[3-(4-CHLORO-3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-2,3-DIHYDROPYRIDAZIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F839-1111
6-(2H-1,3-BENZODIOXOL-5-YL)-2-{[3-(4-CHLORO-3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-2,3-DIHYDROPYRIDAZIN-3-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

F839-1111

Molecular Formula

C20H12ClFN4O4 (C20 H12 ClFN4 O4)

Compound Name

6-(2H-1,3-BENZODIOXOL-5-YL)-2-{[3-(4-CHLORO-3-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-2,3-DIHYDROPYRIDAZIN-3-ONE

IUPAC name

n/a

SMILES

O=C(C=C1)N(Cc2nc(-c(cc3)cc(F)c3Cl)no2)N=C1c(cc1)cc2c1OCO2

InChI

InChI=1S/C20H12ClFN4O4/c21-13-3-1-12(7-14(13)22)20-23-18(30-25-20)9-26-19(27)6-4-15(24-26)11-2-5-16-17(8-11)29-10-28-16/h1-8H,9-10H2

InChI Key

UANRTRPXBCFPBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-4.65

Polar Surface Area

77.006

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F839-1111 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

C-Met Library (15277 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F839-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F839-1111?
Check Price and Availability of F839-1111, 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 F839-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F839-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F839-1111
  • 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 F839-1111 available by request