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Firefly luciferase-IN-2

CAT: 0013-GTR19234161-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234161-01Size:25 mg
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Description
Firefly luciferase-IN-2 (5j) is a potent and selective ATP-competitive inhibitor of Photinus pyralis luciferase (IC50 = 0.15 μM) with negligible activity against Renilla reniformis luciferase. This small molecule is a valuable research tool for modulating bioluminescence in dual-reporter assays and studying ATP-dependent enzymatic activity in vitro.
CAS Number
796108-95-7
Smiles
ClC=1C=C (C=CC1C2=NC (=NO2) C=3C=CC=CC3) C
Molecular Formula
C15H11ClN2O
Molecular Weight
270.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2-Chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
CAS Number796108-95-7
PubChem CID2056784
IUPAC Name5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
Molecular FormulaC15H11ClN2O
Molecular Weight270.71
XLogP4.5
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity296
SMILES
CC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c1-10-7-8-12(13(16)9-10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
VKXJIEMSZDBZKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
CAS: 796108-95-7
CID: 2056784
Formula: C15H11ClN2O
MW: 270.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.71
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass270.0559907
Monoisotopic Mass270.0559907
Topological Polar Surface Area38.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity296
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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