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ML 277

CAT: 0607-B7711-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7711-50Size:50 mg
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Description
Kv7.1 (KCNQ1) potassium channel activator
CAS Number
1401242-74-7
Product Name Alternative
(R,Z)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carbimidic acid
Field of Research
Membrane Transporter Ion Channel Potassium Channel
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
CC1=CC=C(S(N2CCCC[C@]2([H])/C(O)=N/C3=NC(C4=CC=C(OC)C=C4)=CS3)(=O)=O)C=C1
Molecular Formula
C23H25N3O4S2
Molecular Weight
471.59
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

ML277
CAS Number1401242-74-7
PubChem CID53347902
IUPAC Name(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
Molecular FormulaC23H25N3O4S2
Molecular Weight471.6
XLogP4.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity728
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1
InChIKey
OXQNLLVUVDAEHC-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of ML277
CAS: 1401242-74-7
CID: 53347902
Formula: C23H25N3O4S2
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass471.12864863
Monoisotopic Mass471.12864863
Topological Polar Surface Area125 Ų
Heavy Atom Count32
Formal Charge0
Complexity728
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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