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CL-82198

CAT: 0931-T14978-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T14978-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
307002-71-7
Target
MMP
Related Pathways
Proteases/Proteasome
Purity
0.9591
Bioactivity
CL-82198, a selective MMP-13 inhibitor, serves as a pharmacological intervention to halt the progression of osteoarthritis (OA) . Its mechanism of action involves binding to the S1' pocket of MMP-13, ensuring its selectivity and preventing inhibition of other MMPs.
Smiles
O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1
Molecular Formula
C17H22N2O3
Molecular Weight
302.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CL82198

N-[4-(4-morpholinyl)butyl]-2-benzofurancarboxamide is a member of benzofurans.

CAS Number307002-71-7
PubChem CID2777
IUPAC NameN-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
Molecular FormulaC17H22N2O3
Molecular Weight302.37
XLogP2.5
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity358
SMILES
C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)
InChIKey
KUJQEQAVMNFFAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CL82198
CAS: 307002-71-7
CID: 2777
Formula: C17H22N2O3
MW: 302.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.37
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass302.16304257
Monoisotopic Mass302.16304257
Topological Polar Surface Area54.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity358
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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Alternative Products

CatalogName
MBS3613869-01CL-82198
HY-110046CL-82198 (hydrochloride)
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A13597-200CL-82198 200mg

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