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VU0238441

CAT: 0931-T8219-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8219-01Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85511-68-8
Target
AChR
Related Pathways
Neuroscience
Purity
>99.99%
Bioactivity
VU0238441 is agonist of Muscarinic acetylcholine receptor M5 (human) with EC50 of 2.1μM.
Smiles
FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
Molecular Formula
C16H9ClF3NO2
Molecular Weight
339.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Chloro-1-(4-(trifluoromethyl)benzyl)indoline-2,3-dione
CAS Number85511-68-8
PubChem CID44158142
IUPAC Name7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
Molecular FormulaC16H9ClF3NO2
Molecular Weight339.69
XLogP3.9
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity488
SMILES
C1=CC2=C(C(=C1)Cl)N(C(=O)C2=O)CC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H9ClF3NO2/c17-12-3-1-2-11-13(12)21(15(23)14(11)22)8-9-4-6-10(7-5-9)16(18,19)20/h1-7H,8H2
InChIKey
MIAQTWNDRFRVOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloro-1-(4-(trifluoromethyl)benzyl)indoline-2,3-dione
CAS: 85511-68-8
CID: 44158142
Formula: C16H9ClF3NO2
MW: 339.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.69
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass339.0273907
Monoisotopic Mass339.0273907
Topological Polar Surface Area37.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity488
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

Alternative Products

CatalogName
BA5495-50VU0238441

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