M446-1894 Screening compound: N-(2,4-dimethylphenyl)-2-[8-(2-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

M446-1894 Screening compound: N-(2,4-dimethylphenyl)-2-[8-(2-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
M446-1894 Screening compound: N-(2,4-dimethylphenyl)-2-[8-(2-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-1894
N-(2,4-dimethylphenyl)-2-[8-(2-methylphenoxy)-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

M446-1894

Molecular Formula

C22H21N5O3 (C22 H21 N5 O3)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-[8-(2-methylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamide

SMILES

Cc(cc1)cc(C)c1NC(CN1N=C(C(Oc2c(C)cccc2)=NC=C2)N2C1=O)=O

InChI

InChI=1S/C22H21N5O3/c1-14-8-9-17(16(3)12-14)24-19(28)13-27-22(29)26-11-10-23-21(20(26)25-27)30-18-7-5-4-6-15(18)2/h4-12H,13H2,1-3H3,(H,24,28)

InChI Key

GGFSUUKTEHPZGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.18

Polar Surface Area

69.603

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M446-1894 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M446-1894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-1894?
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What is the minimum amount of M446-1894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-1894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-1894
  • 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 M446-1894 available by request