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Synucleozid-2.0

CAT: 0013-GTR19240941-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240941-03Size:100 mg
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Description
Synucleozid-2.0 is a novel research compound for neurodegenerative disease studies, proposed to function via neurotransmitter and signaling pathway modulation. It is utilized in both in vitro and in vivo experimental models to investigate mechanisms related to synucleinopathies and neuronal function.
CAS Number
613226-91-8
Smiles
O=C (NC=1C=CC=2C=NNC2C1) CSC3=NN=C (C=4C=CN=CC4) N3C5=CC=C (Br) C=C5
Molecular Formula
C22H16BrN7OS
Molecular Weight
506.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1H-indazol-6-yl)acetamide
CAS Number613226-91-8
PubChem CID1285037
IUPAC Name2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1H-indazol-6-yl)acetamide
Molecular FormulaC22H16BrN7OS
Molecular Weight506.4
XLogP3.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity631
SMILES
C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)C=NN4)C5=CC=NC=C5)Br
InChI
InChI=1S/C22H16BrN7OS/c23-16-2-5-18(6-3-16)30-21(14-7-9-24-10-8-14)28-29-22(30)32-13-20(31)26-17-4-1-15-12-25-27-19(15)11-17/h1-12H,13H2,(H,25,27)(H,26,31)
InChIKey
LKEJPVTYVKHQNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1H-indazol-6-yl)acetamide
CAS: 613226-91-8
CID: 1285037
Formula: C22H16BrN7OS
MW: 506.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass505.03204
Monoisotopic Mass505.03204
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity631
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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