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D-Luciferin 6'-methyl ether

CAT: 0013-GTR19338860-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19338860-01Size:25 mg
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Description
D-Luciferin 6'-methyl ether sodium salt is a dual-function small molecule that inhibits firefly luciferase while also serving as a co-substrate for the enzymatic synthesis of dinucleoside polyphosphates. It is used in vitro for studying luciferase kinetics and nucleotide signaling pathways.
CAS Number
3022-11-5
Molecular Weight
294.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(6-Methoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CAS Number3022-11-5
PubChem CID3404360
IUPAC Name2-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Molecular FormulaC12H10N2O3S2
Molecular Weight294.4
XLogP2.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity404
SMILES
COC1=CC2=C(C=C1)N=C(S2)C3=NC(CS3)C(=O)O
InChI
InChI=1S/C12H10N2O3S2/c1-17-6-2-3-7-9(4-6)19-11(13-7)10-14-8(5-18-10)12(15)16/h2-4,8H,5H2,1H3,(H,15,16)
InChIKey
ZTQKCGHSTKIWFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-Methoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CAS: 3022-11-5
CID: 3404360
Formula: C12H10N2O3S2
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass294.01328453
Monoisotopic Mass294.01328453
Topological Polar Surface Area125 Ų
Heavy Atom Count19
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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MBS5825178(Rac)-Luciferin 6'-methyl ether sodium
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sc-215271Luciferin 6'-methyl ether sodium salt
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