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NGP555

CAT: 0931-T16294-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16294-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1304630-27-0
Target
Gamma-secretase
Related Pathways
Proteases/Proteasome, Neuroscience, Stem Cells
Purity
0.9986
Bioactivity
NGP555 is a modulator of γ-secretase.
Smiles
CCc1cc(Nc2nc(cs2)-c2ccc(c(F)c2)-n2cnc(C)c2)c(C)cc1C
Molecular Formula
C23H23FN4S
Molecular Weight
406.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-
CAS Number1304630-27-0
PubChem CID46853593
IUPAC NameN-(5-ethyl-2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
Molecular FormulaC23H23FN4S
Molecular Weight406.5
XLogP6.3
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity537
SMILES
CCC1=CC(=C(C=C1C)C)NC2=NC(=CS2)C3=CC(=C(C=C3)N4C=C(N=C4)C)F
InChI
InChI=1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27)
InChIKey
WDEKUGNKKOGFOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-
CAS: 1304630-27-0
CID: 46853593
Formula: C23H23FN4S
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass406.16274609
Monoisotopic Mass406.16274609
Topological Polar Surface Area71 Ų
Heavy Atom Count29
Formal Charge0
Complexity537
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

Alternative Products

CatalogName
460713-01NGP555

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