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LY456066

CAT: 0013-GTR19197140-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197140-02Size:50 mg
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Description
LY456066 is a selective negative allosteric modulator of the mGluR1 receptor. This small molecule is a valuable research tool for investigating mGluR1 function in neurological disorders, applicable in both in vitro binding assays and in vivo behavioral studies.
CAS Number
338738-66-2
Field of Research
Neuroscience
Smiles
N (C1=C2C (=NC (SCCO) =N1) CCCC2) C3CC=4C (C3) =CC=CC4
Molecular Formula
C19H23N3OS
Molecular Weight
341.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY456066
CAS Number338738-66-2
PubChem CID9840951
IUPAC Name2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethanol
Molecular FormulaC19H23N3OS
Molecular Weight341.5
XLogP4
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity396
SMILES
C1CCC2=C(C1)C(=NC(=N2)SCCO)NC3CC4=CC=CC=C4C3
InChI
InChI=1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)
InChIKey
VZJHTQZXSTXJNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY456066
CAS: 338738-66-2
CID: 9840951
Formula: C19H23N3OS
MW: 341.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass341.15618354
Monoisotopic Mass341.15618354
Topological Polar Surface Area83.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity396
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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