M446-0799 Screening compound: 8-(3-methoxyphenoxy)-2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

M446-0799 Screening compound: 8-(3-methoxyphenoxy)-2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
M446-0799 Screening compound: 8-(3-methoxyphenoxy)-2-{2-[4-(2-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 M446-0799
8-(3-methoxyphenoxy)-2-{2-[4-(2-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

M446-0799

Molecular Formula

C25H26N6O5 (C25 H26 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(OC(C2=NN3CC(N(CC4)CCN4c(cccc4)c4OC)=O)=NC=CN2C3=O)c1

InChI

InChI=1S/C25H26N6O5/c1-34-18-6-5-7-19(16-18)36-24-23-27-31(25(33)30(23)11-10-26-24)17-22(32)29-14-12-28(13-15-29)20-8-3-4-9-21(20)35-2/h3-11,16H,12-15,17H2,1-2H3

InChI Key

ZGEJVCKYYJJOMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.739

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-2.22

Polar Surface Area

81.591

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M446-0799 in Drug Discovery

Included in Screening Libraries

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

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 M446-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0799?
Check Price and Availability of M446-0799, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M446-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0799
  • 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 M446-0799 available by request