F839-0081 Screening compound: 6-(3-chlorophenyl)-2-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydropyridazin-3-one

F839-0081 Screening compound: 6-(3-chlorophenyl)-2-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydropyridazin-3-one
F839-0081 Screening compound: 6-(3-chlorophenyl)-2-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F839-0081
6-(3-chlorophenyl)-2-{[3-(2,4-dimethoxyphenyl)-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

F839-0081

Molecular Formula

C21H17ClN4O4 (C21 H17 ClN4 O4)

Compound Name

6-(3-chlorophenyl)-2-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydropyridazin-3-one

IUPAC name

6-(3-chlorophenyl)-2-{[3-(24-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-23-dihydropyridazin-3-one

SMILES

COc(cc1)cc(OC)c1-c1noc(CN(C(C=C2)=O)N=C2c2cccc(Cl)c2)n1

InChI

InChI=1S/C21H17ClN4O4/c1-28-15-6-7-16(18(11-15)29-2)21-23-19(30-25-21)12-26-20(27)9-8-17(24-26)13-4-3-5-14(22)10-13/h3-11H,12H2,1-2H3

InChI Key

KVVYGRGQUMKDDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.70

Polar Surface Area

75.065

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F839-0081 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 F839-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F839-0081?
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What is the minimum amount of F839-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F839-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F839-0081
  • 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 F839-0081 available by request