M455-0346 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one

M455-0346 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one
M455-0346 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M455-0346
6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-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

M455-0346

Molecular Formula

C20H15N5O4 (C20 H15 N5 O4)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one

IUPAC name

6-(2H-13-benzodioxol-5-yl)-2-{2-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]ethyl}-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)N(CCc2nc(-c3cnccc3)no2)N=C1c(cc1)cc2c1OCO2

InChI

InChI=1S/C20H15N5O4/c26-19-6-4-15(13-3-5-16-17(10-13)28-12-27-16)23-25(19)9-7-18-22-20(24-29-18)14-2-1-8-21-11-14/h1-6,8,10-11H,7,9,12H2

InChI Key

QHVSLEXGCFHHOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.49

Polar Surface Area

86.502

Acid Dissociation Constant (pKa)

24.70

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M455-0346 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M455-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M455-0346?
Check Price and Availability of M455-0346, 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 M455-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M455-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M455-0346
  • 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 M455-0346 available by request