F839-0490 Screening compound: 2-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-butoxyphenyl)-2,3-dihydropyridazin-3-one

F839-0490 Screening compound: 2-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-butoxyphenyl)-2,3-dihydropyridazin-3-one
F839-0490 Screening compound: 2-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-butoxyphenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F839-0490
2-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(4-butoxyphenyl)-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

F839-0490

Molecular Formula

C23H21BrN4O3 (C23 H21 BrN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(C=C1)=NN(Cc2nc(-c(cccc3)c3Br)no2)C1=O

InChI

InChI=1S/C23H21BrN4O3/c1-2-3-14-30-17-10-8-16(9-11-17)20-12-13-22(29)28(26-20)15-21-25-23(27-31-21)18-6-4-5-7-19(18)24/h4-13H,2-3,14-15H2,1H3

InChI Key

FNIWEXDQZNXLIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.22

Polar Surface Area

67.308

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F839-0490 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 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

References: we are preparing a list of scientific research reports with F839-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F839-0490?
Check Price and Availability of F839-0490, 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 F839-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F839-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F839-0490
  • 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 F839-0490 available by request