M177-0539 Screening compound: 2-[(3-methoxyphenyl)methyl]-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M177-0539 Screening compound: 2-[(3-methoxyphenyl)methyl]-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M177-0539 Screening compound: 2-[(3-methoxyphenyl)methyl]-8-(3-phenyl-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 M177-0539
2-[(3-methoxyphenyl)methyl]-8-(3-phenyl-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

M177-0539

Molecular Formula

C22H17N5O3 (C22 H17 N5 O3)

Compound Name

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

IUPAC name

2-[(3-methoxyphenyl)methyl]-8-(3-phenyl-124-oxadiazol-5-yl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

COc1cccc(CN2N=C(C(c3nc(-c4ccccc4)no3)=CC=C3)N3C2=O)c1

InChI

InChI=1S/C22H17N5O3/c1-29-17-10-5-7-15(13-17)14-27-22(28)26-12-6-11-18(20(26)24-27)21-23-19(25-30-21)16-8-3-2-4-9-16/h2-13H,14H2,1H3

InChI Key

UKDGJYAJXKYYJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-4.47

Polar Surface Area

70.251

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

M177-0539 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M177-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M177-0539?
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What is the minimum amount of M177-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M177-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M177-0539
  • 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 M177-0539 available by request