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Compound 11

CAT: 1568-C01213-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01213-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
842964-18-5
Smiles
NC1=CC=C (N2CCOCC2) C3=NON=C13
Molecular Formula
C10H12N4O2
Additionnal Information
Compound 11, a non-toxic and selective δ-secretase inhibitor (IC50=0.7 μM, in fluorescence-based assay) that interacts with both the active site and allosteric site of δ-secretase in Co-crystal structure analysis. The IC50 value of the compound 11 towards δ-secretase in Pala cells is 0.8 μM.
Storage Conditions
3 years -20°C powder

Chemical Information

7-(Morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
CAS Number842964-18-5
PubChem CID1095027
IUPAC Name4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine
Molecular FormulaC10H12N4O2
Molecular Weight220.23
XLogP0.2
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity247
SMILES
C1COCCN1C2=CC=C(C3=NON=C23)N
InChI
InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
InChIKey
LWCSTSZSZFUHAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(Morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
CAS: 842964-18-5
CID: 1095027
Formula: C10H12N4O2
MW: 220.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.23
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass220.09602564
Monoisotopic Mass220.09602564
Topological Polar Surface Area77.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity247
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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