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U 93631

CAT: 0607-B7170-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B7170-100Size:100 mg
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Description
GABAA receptor antagonist
CAS Number
152273-12-6
Product Name Alternative
tert-butyl 4,4-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline-3-carboxylate
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Purity
0.98
Form
White solid
Solubility
Soluble in DMSO
Smiles
O=C(C(N=C1)=C2N1C3=CC=CC=C3NC2(C)C)OC(C)(C)C
Molecular Formula
C17H21N3O2
Molecular Weight
299.37
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

U 93631
CAS Number152273-12-6
PubChem CID197626
IUPAC Nametert-butyl 4,4-dimethyl-5H-imidazo[1,5-a]quinoxaline-3-carboxylate
Molecular FormulaC17H21N3O2
Molecular Weight299.37
XLogP3
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity444
SMILES
CC1(C2=C(N=CN2C3=CC=CC=C3N1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C17H21N3O2/c1-16(2,3)22-15(21)13-14-17(4,5)19-11-8-6-7-9-12(11)20(14)10-18-13/h6-10,19H,1-5H3
InChIKey
NXBSEJKZKXIYMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of U 93631
CAS: 152273-12-6
CID: 197626
Formula: C17H21N3O2
MW: 299.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.37
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass299.16337692
Monoisotopic Mass299.16337692
Topological Polar Surface Area56.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity444
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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Alternative Products

CatalogName
GTR19163085-01U-93631
MBS131369U 93631
A16336-50U-93631 50mg
A16336-25U-93631 25mg
A16336-100U-93631 100mg
A16336-5U-93631 5mg
A16336-200U-93631 200mg
A16336-10U-93631 10mg
A16336-10mM-DU-93631 10mM * 1mL in DMSO

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