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Gamma-secretase modulator 3

CAT: 0931-T11360Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T11360Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1431697-84-5
Target
Gamma-secretase
Related Pathways
Neuroscience, Stem Cells, Proteases/Proteasome
Purity
0.98
Bioactivity
Gamma-secretase modulator 3 (γ-secretase modulator 3) is a γ-secretase modulator that reduces Aβ production.
Smiles
FC1=CC=C(C=C1)C2C=3N=C(SC3CCC2)NC4=CC=C(C(OC)=C4)N5C=NC(=C5)C
Molecular Formula
C24H23FN4OS
Molecular Weight
434.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

gamma-Secretase modulator 3
CAS Number1431697-84-5
PubChem CID71576689
IUPAC Name4-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Molecular FormulaC24H23FN4OS
Molecular Weight434.5
XLogP5.6
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity592
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(S3)CCCC4C5=CC=C(C=C5)F)OC
InChI
InChI=1S/C24H23FN4OS/c1-15-13-29(14-26-15)20-11-10-18(12-21(20)30-2)27-24-28-23-19(4-3-5-22(23)31-24)16-6-8-17(25)9-7-16/h6-14,19H,3-5H2,1-2H3,(H,27,28)
InChIKey
UCGDOBMXNQTSSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of gamma-Secretase modulator 3
CAS: 1431697-84-5
CID: 71576689
Formula: C24H23FN4OS
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass434.15766071
Monoisotopic Mass434.15766071
Topological Polar Surface Area80.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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