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MK-0941

CAT: 0926-MVB91697-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-MVB91697-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1137916-97-2
MDL Number
MFCD30532700
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
Molecular Formula
C22H28N4O9S2
Molecular Weight
556.61 g/mol
Controlled
No

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...
View on PubChemRaw 3D data
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

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