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CBIQ

CAT: 0013-GTR19274942-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274942-01Size:10 mg
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Description
CBIQ (4-Chlorobenzo[f]isoquinoline) is a benzoisoquinoline compound known to activate the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel and intermediate-conductance calcium-activated potassium channel (KCNN4), with Kd values of 0.1 and 3.9 μM, respectively. CBIQ is applicable in research related to cystic fibrosis.
CAS Number
32081-28-0
Smiles
ClC1=NC=CC2=C1C=CC=3C=CC=CC32
Molecular Formula
C13H8ClN
Molecular Weight
213.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Chlorobenzo(f)isoquinoline

activates both CFTR chloride channels and KCNN4 potassium channels; structure in first source

CAS Number32081-28-0
PubChem CID11401613
IUPAC Name4-chlorobenzo[f]isoquinoline
Molecular FormulaC13H8ClN
Molecular Weight213.66
XLogP4.3
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity231
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CN=C3Cl
InChI
InChI=1S/C13H8ClN/c14-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-15-13/h1-8H
InChIKey
SHQLTRRYZVBEMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorobenzo(f)isoquinoline
CAS: 32081-28-0
CID: 11401613
Formula: C13H8ClN
MW: 213.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.66
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass213.0345270
Monoisotopic Mass213.0345270
Topological Polar Surface Area12.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity231
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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