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TCS 1105

CAT: 0607-B5499-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5499-10Size:10 mg
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Description
GABAA benzodiazepine receptor (BZR) ligand
CAS Number
185391-33-7
Product Name Alternative
N-(4-fluorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Form
Light orange/brown solid
Solubility
<5.93mg/ml in ethanol; <29.63mg/ml in DMSO
Smiles
FC1=CC=C(CNC(C(C2=CNC3=CC=CC=C23)=O)=O)C=C1
Molecular Formula
C17H13FN2O2
Molecular Weight
296.3
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

1H-Indole-3-acetamide, N-((4-MeO-Ph)Me)-al
CAS Number185391-33-7
PubChem CID2986030
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Molecular FormulaC17H13FN2O2
Molecular Weight296.29
XLogP3.2
Topological Polar Surface Area62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity421
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)
InChIKey
VWCCHJFFYCGXFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indole-3-acetamide, N-((4-MeO-Ph)Me)-al
CAS: 185391-33-7
CID: 2986030
Formula: C17H13FN2O2
MW: 296.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.29
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass296.09610582
Monoisotopic Mass296.09610582
Topological Polar Surface Area62 Ų
Heavy Atom Count22
Formal Charge0
Complexity421
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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