M446-4046 Screening compound: 2-[8-(4-chlorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-cyclopentylacetamide
Chemical Structure Depiction of ChemDiv screening compound M446-4046
2-[8-(4-chlorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-cyclopentylacetamide
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
M446-4046
Molecular Formula
C18H18ClN5O3 (C18 H18 ClN5 O3)
Compound Name
2-[8-(4-chlorophenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-cyclopentylacetamide
IUPAC name
2-[8-(4-chlorophenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-cyclopentylacetamide
SMILES
O=C(CN1N=C(C(Oc(cc2)ccc2Cl)=NC=C2)N2C1=O)NC1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
387.83
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
2.130
Distribution Coefficient, logD
2.130
Water Solubility, LogSw
-3.11
Polar Surface Area
71.628
Acid Dissociation Constant (pKa)
16.96
Base Dissociation Constant (pKb)
0.79
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
M446-4046 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
SmartTM Library (51161 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Kinases
- GPCR
- Receptor's ligands
- Agro
References: we are preparing a list of scientific research reports with M446-4046 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)