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GABAA receptor agent 6

CAT: 0931-T60817-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60817-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1808463-81-1
Target
GABA Receptor, Others
Related Pathways
Neuroscience, Membrane transporter/Ion channel, Others
Bioactivity
GABAA receptor agent 6 (compound 2027) is a potent γ-GABAAR antagonist with low cellular membrane permeability (Ki = 0.56 μM) [1].
Smiles
C(=O)(N1CCC2(CC1)CCNCC2)C3=CC(NC(C)=O)=CC=C3
Molecular Formula
C18H25N3O2
Molecular Weight
315.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GABAA receptor agent 6
CAS Number1808463-81-1
PubChem CID119047625
IUPAC NameN-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]acetamide
Molecular FormulaC18H25N3O2
Molecular Weight315.4
XLogP1.9
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity436
SMILES
CC(=O)NC1=CC=CC(=C1)C(=O)N2CCC3(CCNCC3)CC2
InChI
InChI=1S/C18H25N3O2/c1-14(22)20-16-4-2-3-15(13-16)17(23)21-11-7-18(8-12-21)5-9-19-10-6-18/h2-4,13,19H,5-12H2,1H3,(H,20,22)
InChIKey
DCGKLGYFWMHNPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GABAA receptor agent 6
CAS: 1808463-81-1
CID: 119047625
Formula: C18H25N3O2
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass315.19467705
Monoisotopic Mass315.19467705
Topological Polar Surface Area61.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity436
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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