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LY 2087101

CAT: 0607-B7597-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7597-50Size:50 mg
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Description
Allosteric potentiator of α7, α4β2 and α4β4 nAChRs
CAS Number
913186-74-0
Product Name Alternative
(2-((4-fluorophenyl)amino)-4-methylthiazol-5-yl)(thiophen-3-yl)methanone
Field of Research
Neuroscience Nicotinic Receptor
Purity
0.98
Form
Pale yellow solid
Solubility
<31.84mg/ml in DMSO;insoluble in ethanol
Smiles
CC(N=C1NC2=CC=C(F)C=C2)=C(S1)C(C3=CSC=C3)=O
Molecular Formula
C15H11FN2OS2
Molecular Weight
318.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

LY2087101
CAS Number913186-74-0
PubChem CID11964458
IUPAC Name[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
Molecular FormulaC15H11FN2OS2
Molecular Weight318.4
XLogP4.7
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity377
SMILES
CC1=C(SC(=N1)NC2=CC=C(C=C2)F)C(=O)C3=CSC=C3
InChI
InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)
InChIKey
PEAMDZVDNYENPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY2087101
CAS: 913186-74-0
CID: 11964458
Formula: C15H11FN2OS2
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass318.02968349
Monoisotopic Mass318.02968349
Topological Polar Surface Area98.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity377
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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CatalogName
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HY-107683-01LY-2087101

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