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α-Synuclein modulator 1

CAT: 0013-GTR19240312-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240312-03Size:100 mg
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Description
Compound 7k (α-Synuclein modulator 1) is a small molecule modulator of α-synuclein. In an ACN/PBS (1:1) buffer, its maximum absorption and emission are at 386 nm and 603 nm, respectively. This fluorescent probe is useful for in vitro studies of α-synuclein aggregation and related neurodegenerative disease research.
CAS Number
3058709-40-0
Field of Research
Neuroscience
Smiles
C (=C/C1=CC=C (C=C1) N2CCOCC2) \C=3N4N (C (=O) C3C) C (=O) C (C) =C4C
Molecular Formula
C21H23N3O3
Molecular Weight
365.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2,6-trimethyl-7-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazolo[1,2-a]pyrazole-3,5-dione
CAS Number3058709-40-0
PubChem CID172192651
IUPAC Name1,2,6-trimethyl-7-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazolo[1,2-a]pyrazole-3,5-dione
Molecular FormulaC21H23N3O3
Molecular Weight365.4
XLogP2.9
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity738
SMILES
CC1=C(N2C(=C(C(=O)N2C1=O)C)/C=C/C3=CC=C(C=C3)N4CCOCC4)C
InChI
InChI=1S/C21H23N3O3/c1-14-16(3)23-19(15(2)21(26)24(23)20(14)25)9-6-17-4-7-18(8-5-17)22-10-12-27-13-11-22/h4-9H,10-13H2,1-3H3/b9-6+
InChIKey
ASLRPOXFAYXDNS-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of 1,2,6-trimethyl-7-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrazolo[1,2-a]pyrazole-3,5-dione
CAS: 3058709-40-0
CID: 172192651
Formula: C21H23N3O3
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass365.17394160
Monoisotopic Mass365.17394160
Topological Polar Surface Area53.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes