M453-0577 Screening compound: 6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

M453-0577 Screening compound: 6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
M453-0577 Screening compound: 6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M453-0577
6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-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

M453-0577

Molecular Formula

C23H20N6O5 (C23 H20 N6 O5)

Compound Name

6-phenyl-2-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

IUPAC name

6-phenyl-2-{[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-2H3H-[124]triazolo[43-b]pyridazin-3-one

SMILES

COc1cc(-c2noc(CN(C3=O)N=C(C=C4)N3N=C4c3ccccc3)n2)cc(OC)c1OC

InChI

InChI=1S/C23H20N6O5/c1-31-17-11-15(12-18(32-2)21(17)33-3)22-24-20(34-27-22)13-28-23(30)29-19(26-28)10-9-16(25-29)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3

InChI Key

UHKJTWBTVWNSDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-4.04

Polar Surface Area

99.078

Acid Dissociation Constant (pKa)

25.72

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

M453-0577 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M453-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M453-0577?
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What is the minimum amount of M453-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M453-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M453-0577
  • 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 M453-0577 available by request