M115-0546 Screening compound: 3-{3-[2-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1-(4-methoxyphenyl)-1,4-dihydropyridazin-4-one

M115-0546 Screening compound: 3-{3-[2-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1-(4-methoxyphenyl)-1,4-dihydropyridazin-4-one
M115-0546 Screening compound: 3-{3-[2-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1-(4-methoxyphenyl)-1,4-dihydropyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M115-0546
3-{3-[2-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1-(4-methoxyphenyl)-1,4-dihydropyridazin-4-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

M115-0546

Molecular Formula

C26H20N4O4 (C26 H20 N4 O4)

Compound Name

3-{3-[2-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1-(4-methoxyphenyl)-1,4-dihydropyridazin-4-one

IUPAC name

3-{3-[2-(benzyloxy)phenyl]-124-oxadiazol-5-yl}-1-(4-methoxyphenyl)-14-dihydropyridazin-4-one

SMILES

COc(cc1)ccc1N(C=C1)N=C(c2nc(-c(cccc3)c3OCc3ccccc3)no2)C1=O

InChI

InChI=1S/C26H20N4O4/c1-32-20-13-11-19(12-14-20)30-16-15-22(31)24(28-30)26-27-25(29-34-26)21-9-5-6-10-23(21)33-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3

InChI Key

SQWLNPZLGYHFRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.971

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.95

Polar Surface Area

72.913

Acid Dissociation Constant (pKa)

28.50

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

M115-0546 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M115-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M115-0546?
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What is the minimum amount of M115-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M115-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M115-0546
  • 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 M115-0546 available by request