F839-0498 Screening compound: 6-(4-butoxyphenyl)-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydropyridazin-3-one

F839-0498 Screening compound: 6-(4-butoxyphenyl)-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydropyridazin-3-one
F839-0498 Screening compound: 6-(4-butoxyphenyl)-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F839-0498
6-(4-butoxyphenyl)-2-{[3-(3,4,5-trimethoxyphenyl)-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

F839-0498

Molecular Formula

C26H28N4O6 (C26 H28 N4 O6)

Compound Name

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

IUPAC name

6-(4-butoxyphenyl)-2-{[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-23-dihydropyridazin-3-one

SMILES

CCCCOc(cc1)ccc1C(C=C1)=NN(Cc2nc(-c(cc3OC)cc(OC)c3OC)no2)C1=O

InChI

InChI=1S/C26H28N4O6/c1-5-6-13-35-19-9-7-17(8-10-19)20-11-12-24(31)30(28-20)16-23-27-26(29-36-23)18-14-21(32-2)25(34-4)22(15-18)33-3/h7-12,14-15H,5-6,13,16H2,1-4H3

InChI Key

KTGMOVOVLOEWNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.61

Polar Surface Area

90.286

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

F839-0498 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F839-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F839-0498?
Check Price and Availability of F839-0498, 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 F839-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F839-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F839-0498
  • 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 F839-0498 available by request