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MR-L2

CAT: 0013-GTR19176620-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176620-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MR-L2
CAS Number
2374703-19-0
Product Name Alternative
Reversible, PKA, phosphodiesterase, Phosphodiesterase (PDE), triazole, cyst, allosteric, ADPKD, cAMP, inhibit, noncompetitive, MR L2, MRL2, MR-L2, MR-L-2, PDE4, long-isoform, Inhibitor, MDCK
Field of Research
Metabolism Research
Purity
98.09% (May vary between batches)
Solubility
DMSO:20 mg/mL (45.28 mM) ;10% DMSO+90% Corn Oil:2 mg/mL (4.53 mM)
Smiles
CCc1nc (nn1CC (=O) NCc1cc (Cl) cc (Cl) c1) -c1ccc (Cl) c (F) c1
Molecular Formula
C19H16Cl3FN4O
Molecular Weight
441.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[3-(4-chloro-3-fluorophenyl)-5-ethyl-1,2,4-triazol-1-yl]-N-[(3,5-dichlorophenyl)methyl]acetamide
CAS Number2374703-19-0
PubChem CID138911347
IUPAC Name2-[3-(4-chloro-3-fluorophenyl)-5-ethyl-1,2,4-triazol-1-yl]-N-[(3,5-dichlorophenyl)methyl]acetamide
Molecular FormulaC19H16Cl3FN4O
Molecular Weight441.7
XLogP5.4
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity521
SMILES
CCC1=NC(=NN1CC(=O)NCC2=CC(=CC(=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)F
InChI
InChI=1S/C19H16Cl3FN4O/c1-2-17-25-19(12-3-4-15(22)16(23)7-12)26-27(17)10-18(28)24-9-11-5-13(20)8-14(21)6-11/h3-8H,2,9-10H2,1H3,(H,24,28)
InChIKey
JXACCOKEEPXHCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-(4-chloro-3-fluorophenyl)-5-ethyl-1,2,4-triazol-1-yl]-N-[(3,5-dichlorophenyl)methyl]acetamide
CAS: 2374703-19-0
CID: 138911347
Formula: C19H16Cl3FN4O
MW: 441.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.7
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass440.037372
Monoisotopic Mass440.037372
Topological Polar Surface Area59.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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