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MK-0941

CAT: 0926-CFB24001-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-CFB24001-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
752240-01-0
Smiles
CCS (=O) (=O) C1=NC=C (C=C1) OC2=CC (=CC (=C2) C (=O) NC3=NN (C=C3) C) OC (C) CO
Molecular Formula
C21H24N4O6S
Molecular Weight
460.5 g/mol
Controlled
No

Chemical Information

MK-0941 free base
CAS Number752240-01-0
PubChem CID25235801
IUPAC Name3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
Molecular FormulaC21H24N4O6S
Molecular Weight460.5
XLogP1.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity718
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
InChI
InChI=1S/C21H24N4O6S/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/h5-12,14,26H,4,13H2,1-3H3,(H,23,24,27)/t14-/m0/s1
InChIKey
KJSGTWFWVTYPFZ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of MK-0941 free base
CAS: 752240-01-0
CID: 25235801
Formula: C21H24N4O6S
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass460.14165567
Monoisotopic Mass460.14165567
Topological Polar Surface Area141 Ų
Heavy Atom Count32
Formal Charge0
Complexity718
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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HY-19843-01MK-0941
A20823-1MK-0941 1mg
M10484-01MK-0941 mesylate
A20823-100MK-0941 100mg
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