M446-1618 Screening compound: 2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-phenylpropyl)acetamide

M446-1618 Screening compound: 2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-phenylpropyl)acetamide
M446-1618 Screening compound: 2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-1618
2-[8-(2,3-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-phenylpropyl)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

M446-1618

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

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

IUPAC name

2-[8-(23-dimethylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-(3-phenylpropyl)acetamide

SMILES

Cc1cccc(OC(C2=NN3CC(NCCCc4ccccc4)=O)=NC=CN2C3=O)c1C

InChI

InChI=1S/C24H25N5O3/c1-17-8-6-12-20(18(17)2)32-23-22-27-29(24(31)28(22)15-14-26-23)16-21(30)25-13-7-11-19-9-4-3-5-10-19/h3-6,8-10,12,14-15H,7,11,13,16H2,1-2H3,(H,25,30)

InChI Key

CPKPLMIACZZOMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.67

Polar Surface Area

71.465

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M446-1618 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 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 M446-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-1618?
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What is the minimum amount of M446-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-1618
  • 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 M446-1618 available by request