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CL-82198

CAT: 0013-GTR19155333-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155333-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CL-82198 is a selective inhibitor of MMP-13 and it is a pharmacologic treatment for preventing osteoarthritis (OA) progression. CL-82198 binds to the entire S1’ pocket of MMP-13, which is the basis for its selectivity towards MMP-13 and the lack of inhibitory activities against other MMPs.
CAS Number
307002-71-7
Purity
>98% (HPLC)
Solubility
DMSO:100 mg/mL (330.72 mM; Need ultrasonic)
Smiles
O=C (c1cc (cccc2) c2o1) NCCCCN1CCOCC1
Molecular Formula
C17H22N2O3
Molecular Weight
302.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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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MBS3613869-01CL-82198
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