M446-2602 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

M446-2602 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
M446-2602 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-2602
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(3,5-dimethylphenoxy)-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

M446-2602

Molecular Formula

C23H21N5O5 (C23 H21 N5 O5)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[8-(35-dimethylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamide

SMILES

Cc1cc(OC(C2=NN3CC(NCc(cc4)cc5c4OCO5)=O)=NC=CN2C3=O)cc(C)c1

InChI

InChI=1S/C23H21N5O5/c1-14-7-15(2)9-17(8-14)33-22-21-26-28(23(30)27(21)6-5-24-22)12-20(29)25-11-16-3-4-18-19(10-16)32-13-31-18/h3-10H,11-13H2,1-2H3,(H,25,29)

InChI Key

PZGCIPZVBPYPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.89

Polar Surface Area

88.652

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M446-2602 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 M446-2602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-2602?
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What is the minimum amount of M446-2602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-2602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-2602
  • 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 M446-2602 available by request