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MK-8617

CAT: 0127-BUP13184-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13184-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1187990-87-9
Synonyms
MK8617
Purity
=98%
Smiles
COc1ccc(cc1)C(NC(=O)c1cnc([nH]c1=O)-c1cccnn1)c1ccc(OC)cc1

Chemical Information

MK-8617
CAS Number1187990-87-9
PubChem CID44230662
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide
Molecular FormulaC24H21N5O4
Molecular Weight443.5
XLogP2.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity730
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4
InChI
InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)
InChIKey
WXLPERVDMILVIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK-8617
CAS: 1187990-87-9
CID: 44230662
Formula: C24H21N5O4
MW: 443.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass443.15935417
Monoisotopic Mass443.15935417
Topological Polar Surface Area115 Ų
Heavy Atom Count33
Formal Charge0
Complexity730
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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