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ELND007

CAT: 0931-T70635-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70635-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1444006-79-4
Target
Others, Gamma-secretase, Beta Amyloid
Related Pathways
Neuroscience, Stem Cells, Proteases/Proteasome, Others
Bioactivity
ELND007 is a Gamma secretase inhibitor.
Smiles
S(=O)(=O)(N1[C@@H](C=2C(C=3C1=CC=C(F)C3)=NNC2)C4CC4)C=5C=CC(C(F)(F)F)=NC5
Molecular Formula
C19H14F4N4O2S
Molecular Weight
438.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Elnd-007
CAS Number1444006-79-4
PubChem CID46912223
IUPAC Name(4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
Molecular FormulaC19H14F4N4O2S
Molecular Weight438.4
XLogP2.9
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity757
SMILES
C1CC1[C@@H]2C3=C(C4=C(N2S(=O)(=O)C5=CN=C(C=C5)C(F)(F)F)C=CC(=C4)F)NN=C3
InChI
InChI=1S/C19H14F4N4O2S/c20-11-3-5-15-13(7-11)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)12-4-6-16(24-8-12)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)/t18-/m1/s1
InChIKey
LBJYPLZODCWHKE-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Elnd-007
CAS: 1444006-79-4
CID: 46912223
Formula: C19H14F4N4O2S
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass438.07735952
Monoisotopic Mass438.07735952
Topological Polar Surface Area87.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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CatalogName
GTR19209439-01ELND007

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