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MODAG-001

CAT: 0013-GTR19306839-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19306839-01Size:10 mg
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Description
MODAG-001 is a small molecule α-synuclein imaging probe capable of binding to α-synuclein fibrils. It is utilized in preclinical research for in vivo PET imaging and in vitro assays to study synucleinopathies like Parkinson's disease in rodent models.
CAS Number
2648041-72-7
Molecular Weight
343.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Modag-001
CAS Number2648041-72-7
PubChem CID156403713
IUPAC Name4-[3-(2-bromo-4-pyridinyl)-1H-pyrazol-5-yl]-N,N-dimethylaniline
Molecular FormulaC16H15BrN4
Molecular Weight343.22
XLogP3.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity330
SMILES
CN(C)C1=CC=C(C=C1)C2=CC(=NN2)C3=CC(=NC=C3)Br
InChI
InChI=1S/C16H15BrN4/c1-21(2)13-5-3-11(4-6-13)14-10-15(20-19-14)12-7-8-18-16(17)9-12/h3-10H,1-2H3,(H,19,20)
InChIKey
KHJCRNBFTHZLAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Modag-001
CAS: 2648041-72-7
CID: 156403713
Formula: C16H15BrN4
MW: 343.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.22
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass342.04801
Monoisotopic Mass342.04801
Topological Polar Surface Area44.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity330
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

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