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VU0238441

CAT: 1568-C16017Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C16017Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85511-68-8
SKU
C16017-25mg
Target
AChR
Applications
Neuronal Signaling
Smiles
C1=CC2=C (C (=C1) Cl) N (C (=O) C2=O) CC3=CC=C (C=C3) C (F) (F) F
Molecular Formula
C16H9ClF3NO2
Additionnal Information
VU0238441 is a pan muscarinic acetylcholine receptor (mAChR) positive allosteric modulator (PAM) with EC50 of 2.1 μM, 2.2 μM, 2.8 μM, 3.2 μM and >10 μM for M5, M3, M2, M1 and M4, respectively.
Storage Conditions
3 years -20°C powder

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
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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

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