F840-0399 Screening compound: 3-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(3,4-dimethoxyphenyl)pyridazine

F840-0399 Screening compound: 3-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(3,4-dimethoxyphenyl)pyridazine
F840-0399 Screening compound: 3-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(3,4-dimethoxyphenyl)pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F840-0399
3-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(3,4-dimethoxyphenyl)pyridazine

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

F840-0399

Molecular Formula

C22H18N4O5S (C22 H18 N4 O5 S)

Compound Name

3-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-(3,4-dimethoxyphenyl)pyridazine

IUPAC name

3-({[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}sulfanyl)-6-(34-dimethoxyphenyl)pyridazine

SMILES

COc(ccc(-c(cc1)nnc1SCc1nc(-c(cc2)cc3c2OCO3)no1)c1)c1OC

InChI

InChI=1S/C22H18N4O5S/c1-27-16-6-3-13(9-18(16)28-2)15-5-8-21(25-24-15)32-11-20-23-22(26-31-20)14-4-7-17-19(10-14)30-12-29-17/h3-10H,11-12H2,1-2H3

InChI Key

ZCSVAWUPQNCMTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.45

Polar Surface Area

84.519

Acid Dissociation Constant (pKa)

27.71

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F840-0399 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F840-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F840-0399?
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What is the minimum amount of F840-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F840-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F840-0399
  • 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 F840-0399 available by request