M177-0572 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M177-0572 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M177-0572 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M177-0572
2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-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

M177-0572

Molecular Formula

C23H17N5O4 (C23 H17 N5 O4)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-8-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

Cc(cc1)ccc1-c1noc(C(C2=NN3Cc(cc4)cc5c4OCO5)=CC=CN2C3=O)n1

InChI

InChI=1S/C23H17N5O4/c1-14-4-7-16(8-5-14)20-24-22(32-26-20)17-3-2-10-27-21(17)25-28(23(27)29)12-15-6-9-18-19(11-15)31-13-30-18/h2-11H,12-13H2,1H3

InChI Key

WBKHFQJCGDETRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.41

Polar Surface Area

79.823

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

M177-0572 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M177-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M177-0572?
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What is the minimum amount of M177-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M177-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M177-0572
  • 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 M177-0572 available by request