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ML418

CAT: 0013-GTR19157779-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157779-01Size:200 mg
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Description
ML418 is a potent, selective and CNS penetrating Kir7.1 potassium channel blocker (IC50 = 310 nM), and also potently inhibits Kir6.2/SUR1.
CAS Number
1928763-08-9
Purity
>98% (HPLC)
Solubility
DMSO:20 mg/mL (52.93 mM; Need ultrasonic)
Smiles
CC (C) OC (=O) NC1CCN (Cc2cc (Cl) c3cccnc3c2O) CC1
Molecular Formula
C19H24ClN3O3
Molecular Weight
377.87
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Isopropyl (1-((5-chloro-8-hydroxyquinolin-7-yl)methyl)piperidin-4-yl)carbamate
CAS Number1928763-08-9
PubChem CID91667465
IUPAC Namepropan-2-yl N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]carbamate
Molecular FormulaC19H24ClN3O3
Molecular Weight377.9
XLogP3.4
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity471
SMILES
CC(C)OC(=O)NC1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C19H24ClN3O3/c1-12(2)26-19(25)22-14-5-8-23(9-6-14)11-13-10-16(20)15-4-3-7-21-17(15)18(13)24/h3-4,7,10,12,14,24H,5-6,8-9,11H2,1-2H3,(H,22,25)
InChIKey
CWIXCQOSULUGBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl (1-((5-chloro-8-hydroxyquinolin-7-yl)methyl)piperidin-4-yl)carbamate
CAS: 1928763-08-9
CID: 91667465
Formula: C19H24ClN3O3
MW: 377.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.9
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass377.1506193
Monoisotopic Mass377.1506193
Topological Polar Surface Area74.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity471
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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CatalogName
T16110-01ML418
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A18426-5ML418 5mg
A18426-1ML418 1mg
A18426-10mM-DML418 10mM * 1mL in DMSO
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