M455-0347 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one

M455-0347 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one
M455-0347 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M455-0347
6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-4-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

M455-0347

Molecular Formula

C20H15N5O4 (C20 H15 N5 O4)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(pyridin-4-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-4-yl)-124-oxadiazol-5-yl]ethyl}-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)N(CCc2nc(-c3ccncc3)no2)N=C1c(cc1)cc2c1OCO2

InChI

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

InChI Key

DZJOLLVLPLHZIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593369

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

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-2.88

Polar Surface Area

86.413

Acid Dissociation Constant (pKa)

24.70

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M455-0347 in Drug Discovery

Included in Screening Libraries

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)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M455-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M455-0347?
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What is the minimum amount of M455-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M455-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M455-0347
  • 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 M455-0347 available by request