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ML-211

CAT: 1410-M23993-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M23993-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML-211 is a carbamate-based dual inhibitor of LYPLA1 (IC50 = 17 nM) and the related LYPLA2 (IC50 = 30 nM) .
CAS Number
2205032-89-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
418.5
Molecular Formula
C25H30N4O2
Notes
Research use only, not for human use.
Receptor
LYPLA1|LYPLA2

Chemical Information

(4-Tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
CAS Number2205032-89-7
PubChem CID56593118
IUPAC Name(4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
Molecular FormulaC25H30N4O2
Molecular Weight418.5
XLogP4.9
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity581
SMILES
CC(C)(C)C1CCN(CC1)C(=O)N2N=CC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H30N4O2/c1-24(2,3)19-14-16-28(17-15-19)23(30)29-26-18-22(27-29)25(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,31H,14-17H2,1-3H3
InChIKey
LPTMHNPBMQCQPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
CAS: 2205032-89-7
CID: 56593118
Formula: C25H30N4O2
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass418.23687621
Monoisotopic Mass418.23687621
Topological Polar Surface Area71.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity581
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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