Products for Research Use Only

MK-0941

CAT: 0013-GTR19153697-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153697-02Size:250 mg
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Description
MK-0941 is a novel Glucokinase activator (GKA)
CAS Number
1137916-97-2
Smiles
C (NC1C=CN (C) N=1) (=O) C1=CC (O[C@H] (C) COS (C) (=O) =O) =CC (OC2=CC=C (S (CC) (=O) =O) N=C2) =C1
Molecular Formula
C22H28N4O9S2
Molecular Weight
556.605
Notes
For research use only.

Chemical Information

Mk-0941
CAS Number1137916-97-2
PubChem CID25235800
IUPAC Name3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide;methanesulfonic acid
Molecular FormulaC22H28N4O9S2
Molecular Weight556.6
Topological Polar Surface Area204
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity810
SMILES
CCS(=O)(=O)C1=NC=C(C=C1)OC2=CC(=CC(=C2)C(=O)NC3=NN(C=C3)C)O[C@@H](C)CO.CS(=O)(=O)O
InChI
InChI=1S/C21H24N4O6S.CH4O3S/c1-4-32(28,29)20-6-5-16(12-22-20)31-18-10-15(9-17(11-18)30-14(2)13-26)21(27)23-19-7-8-25(3)24-19;1-5(2,3)4/h5-12,14,26H,4,13H2,1-3H3,(H,23,24,27);1H3,(H,2,3,4)/t14-;/m0./s1
InChIKey
PIDNRTWDGDJKSQ-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of Mk-0941
CAS: 1137916-97-2
CID: 25235800
Formula: C22H28N4O9S2
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight556.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass556.12977083
Monoisotopic Mass556.12977083
Topological Polar Surface Area204 Ų
Heavy Atom Count37
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes