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BOMA

CAT: 0013-GTR19250084-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250084-02Size:10 mg
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Description
BOMA (Compound 7) is a highly potent and selective mGluR5 antagonist with IC50 and Ki values of 3 nM. It is a valuable research tool for investigating acute, inflammatory, and neuropathic pain mechanisms in both in vitro and in vivo experimental models.
CAS Number
540496-84-2
Field of Research
Neuroscience
Smiles
N#CCC1=CC=C (C=C1OC) C2=NC=3C=CC=CC3O2
Molecular Formula
C16H12N2O2
Molecular Weight
264.279
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Boma
CAS Number540496-84-2
PubChem CID10192854
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]acetonitrile
Molecular FormulaC16H12N2O2
Molecular Weight264.28
XLogP3.1
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity378
SMILES
COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)CC#N
InChI
InChI=1S/C16H12N2O2/c1-19-15-10-12(7-6-11(15)8-9-17)16-18-13-4-2-3-5-14(13)20-16/h2-7,10H,8H2,1H3
InChIKey
LWSOZPNJUFEDJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boma
CAS: 540496-84-2
CID: 10192854
Formula: C16H12N2O2
MW: 264.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.28
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass264.089877630
Monoisotopic Mass264.089877630
Topological Polar Surface Area59.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity378
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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