M446-0381 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

M446-0381 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
M446-0381 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-0381
N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

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

M446-0381

Molecular Formula

C21H17N5O6 (C21 H17 N5 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3-methoxyphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[8-(3-methoxyphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamide

SMILES

COc1cccc(OC(C2=NN3CC(Nc(cc4)cc5c4OCO5)=O)=NC=CN2C3=O)c1

InChI

InChI=1S/C21H17N5O6/c1-29-14-3-2-4-15(10-14)32-20-19-24-26(21(28)25(19)8-7-22-20)11-18(27)23-13-5-6-16-17(9-13)31-12-30-16/h2-10H,11-12H2,1H3,(H,23,27)

InChI Key

AAWVCOSYFQWCOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-2.77

Polar Surface Area

94.874

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M446-0381 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 M446-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0381?
Check Price and Availability of M446-0381, 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 M446-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0381
  • 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 M446-0381 available by request