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E 2012 5mg

CAT: 0628-A11393-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A11393-5Size:5 mg
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CAS Number
870843-42-8

Chemical Information

E-2012

E-2012 is a gamma secretase modulator that is being evaluated as a potential new treatment for Alzheimer's disease.

CAS Number870843-42-8
PubChem CID11560787
IUPAC Name(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
Molecular FormulaC25H26FN3O2
Molecular Weight419.5
XLogP4.3
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity649
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CCCN(C3=O)[C@@H](C)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
InChIKey
PUOAETJYKQITMO-LANLRWRYSA-N
Chemical Structure
2D Structure
2D structure of E-2012
CAS: 870843-42-8
CID: 11560787
Formula: C25H26FN3O2
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass419.20090524
Monoisotopic Mass419.20090524
Topological Polar Surface Area47.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-10016-01E 2012
MBS3606322-01E-2012
HY-10016RE 2012 (Standard)
PT-A03495-01Massachusetts 02/2012 Recombinant
IT-003-B9p-01HA1 (B/Athens/97/2012)
IT-003-B8p-01HA1 (B/Wisconsin/01/2012)
IT-003-00426p-01HA1 (A/Hawaii/22/2012) (H3N2)
IT-003-004SW6p-01HA1 (H3N2v) (A/Indiana/07/2012)
IT-003-B19p-01HA1 (B/Massachusetts/2/2012)
IT-003-B10p-01HA1 (B/YAMANASHI/4/2012)

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