M446-1530 Screening compound: 8-(2,3-dimethylphenoxy)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

M446-1530 Screening compound: 8-(2,3-dimethylphenoxy)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
M446-1530 Screening compound: 8-(2,3-dimethylphenoxy)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-1530
8-(2,3-dimethylphenoxy)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-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

M446-1530

Molecular Formula

C26H28N6O4 (C26 H28 N6 O4)

Compound Name

8-(2,3-dimethylphenoxy)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

8-(23-dimethylphenoxy)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H3H-[124]triazolo[43-a]pyrazin-3-one

SMILES

Cc1cccc(OC(C2=NN3CC(N(CC4)CCN4c(cc4)ccc4OC)=O)=NC=CN2C3=O)c1C

InChI

InChI=1S/C26H28N6O4/c1-18-5-4-6-22(19(18)2)36-25-24-28-32(26(34)31(24)12-11-27-25)17-23(33)30-15-13-29(14-16-30)20-7-9-21(35-3)10-8-20/h4-12H,13-17H2,1-3H3

InChI Key

JCTXQPVWAKPABX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-2.79

Polar Surface Area

74.348

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

M446-1530 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M446-1530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-1530?
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What is the minimum amount of M446-1530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-1530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-1530
  • 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 M446-1530 available by request