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MK 8876

CAT: 0926-BHC96033-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-BHC96033-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426960-33-9
Smiles
CNC (=O) C1=C (OC2=CC (=C (C=C21) C3=NC4=C (C=C3) OCN5C4=CC6=C5C=CC=C6F) N (C) S (=O) (=O) C) C7=CC=C (C=C7) F
Molecular Formula
C32H24F2N4O5S
Molecular Weight
614.6 g/mol
Controlled
No

Chemical Information

Mk-8876
CAS Number1426960-33-9
PubChem CID71509114
IUPAC Name5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Molecular FormulaC32H24F2N4O5S
Molecular Weight614.6
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count44
Formal Charge0
Complexity1170
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=NC4=C(C=C3)OCN5C4=CC6=C5C=CC=C6F)N(C)S(=O)(=O)C)C7=CC=C(C=C7)F
InChI
InChI=1S/C32H24F2N4O5S/c1-35-32(39)29-21-13-20(25(37(2)44(3,40)41)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-27-30(36-23)26-14-19-22(34)5-4-6-24(19)38(26)16-42-27/h4-15H,16H2,1-3H3,(H,35,39)
InChIKey
GOHCXBUFLQKEIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mk-8876
CAS: 1426960-33-9
CID: 71509114
Formula: C32H24F2N4O5S
MW: 614.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass614.14354738
Monoisotopic Mass614.14354738
Topological Polar Surface Area115 Ų
Heavy Atom Count44
Formal Charge0
Complexity1170
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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