M177-0968 Screening compound: 2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M177-0968 Screening compound: 2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M177-0968 Screening compound: 2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}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 M177-0968
2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}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

M177-0968

Molecular Formula

C23H15N7O3 (C23 H15 N7 O3)

Compound Name

2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}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-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-8-(3-phenyl-124-oxadiazol-5-yl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=CC=C2c3nc(-c4ccccc4)no3)C2=NN1CC(N=C1N2C=CC=C1)=CC2=O

InChI

InChI=1S/C23H15N7O3/c31-19-13-16(24-18-10-4-5-11-28(18)19)14-30-23(32)29-12-6-9-17(21(29)26-30)22-25-20(27-33-22)15-7-2-1-3-8-15/h1-13H,14H2

InChI Key

IGHNZEMDJFNRHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-2.58

Polar Surface Area

88.694

Acid Dissociation Constant (pKa)

22.20

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

M177-0968 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with M177-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M177-0968?
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What is the minimum amount of M177-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M177-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M177-0968
  • 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 M177-0968 available by request