M446-0396 Screening compound: methyl 3-{2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

M446-0396 Screening compound: methyl 3-{2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate
M446-0396 Screening compound: methyl 3-{2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-0396
methyl 3-{2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

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

M446-0396

Molecular Formula

C22H19N5O6 (C22 H19 N5 O6)

Compound Name

methyl 3-{2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

IUPAC name

methyl 3-{2-[8-(3-methoxyphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamido}benzoate

SMILES

COC(c1cccc(NC(CN2N=C(C(Oc3cc(OC)ccc3)=NC=C3)N3C2=O)=O)c1)=O

InChI

InChI=1S/C22H19N5O6/c1-31-16-7-4-8-17(12-16)33-20-19-25-27(22(30)26(19)10-9-23-20)13-18(28)24-15-6-3-5-14(11-15)21(29)32-2/h3-12H,13H2,1-2H3,(H,24,28)

InChI Key

NIYDOWOHYSWHAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.424

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-3.00

Polar Surface Area

98.932

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M446-0396 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 M446-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0396?
Check Price and Availability of M446-0396, 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 M446-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0396
  • 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 M446-0396 available by request