α-Synuclein aggregate binder 1

CAT: 0013-GTR19234229-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19234229-02Size:50 mg

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Description

Compound C05-05 is a small molecule binder and inhibitor of α-synuclein aggregates. It serves as a valuable research tool for studying protein aggregation in vitro and enables the detection of pathological species via fluorescence microscopy and PET imaging in vivo for neurodegenerative disease research.

CAS Number

1565797-17-2

Field of Research

Neuroscience

Smiles

C (=C/C#CC=1C=CC (NC) =NC1) \C=2SC=3C (N2) =CC=C (OCC (CF) O) C3

Molecular Formula

C20H18FN3O2S

Molecular Weight

383.44

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

1-Fluoro-3-[[2-[(1E)-4-[6-(methylamino)-3-pyridinyl]-1-buten-3-yn-1-yl]-6-benzothiazolyl]oxy]-2-propanol

CAS Number	1565797-17-2
PubChem CID	90252995
IUPAC Name	1-fluoro-3-[[2-[(E)-4-[6-(methylamino)-3-pyridinyl]but-1-en-3-ynyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
Molecular Formula	C20H18FN3O2S
Molecular Weight	383.4
XLogP	4
Topological Polar Surface Area	95.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	564

SMILES

CNC1=NC=C(C=C1)C#C/C=C/C2=NC3=C(S2)C=C(C=C3)OCC(CF)O

InChI

InChI=1S/C20H18FN3O2S/c1-22-19-9-6-14(12-23-19)4-2-3-5-20-24-17-8-7-16(10-18(17)27-20)26-13-15(25)11-21/h3,5-10,12,15,25H,11,13H2,1H3,(H,22,23)/b5-3+

InChIKey

GTSLERAOSMSMIY-HWKANZROSA-N

Chemical Structure

2D Structure

CAS: 1565797-17-2

CID: 90252995

Formula: C20H18FN3O2S

MW: 383.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	383.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	383.11037616
Monoisotopic Mass	383.11037616
Topological Polar Surface Area	95.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	564
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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α-Synuclein aggregate binder 1

Chemical Information

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