M446-2078 Screening compound: N-(4-cyanophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound M446-2078
N-(4-cyanophenyl)-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
M446-2078
Molecular Formula
C22H18N6O3 (C22 H18 N6 O3)
Compound Name
N-(4-cyanophenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
IUPAC name
N-(4-cyanophenyl)-2-[8-(35-dimethylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamide
SMILES
Cc1cc(OC(C2=NN3CC(Nc(cc4)ccc4C#N)=O)=NC=CN2C3=O)cc(C)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
414.42
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.628
Distribution Coefficient, logD
2.628
Water Solubility, LogSw
-3.09
Polar Surface Area
87.271
Acid Dissociation Constant (pKa)
11.10
Base Dissociation Constant (pKb)
-1.52
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.60
References: we are preparing a list of scientific research reports with M446-2078 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)