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SEluc-2

CAT: 0931-T40082-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T40082-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2421112-19-6
Target
Others
Related Pathways
Others
Bioactivity
SEluc-2, a bioluminescent probe derived from firefly luciferin, is designed for the sensitive and selective detection of thiols in living cells.
Smiles
CC(C)(C)S(=O)Oc1ccc2nc(sc2c1)C1=N[C@H](CS1)C(O)=O |t:18|
Molecular Formula
C15H16N2O4S3
Molecular Weight
384.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SEluc-2
CAS Number2421112-19-6
PubChem CID162341787
IUPAC Name(4S)-2-(6-tert-butylsulfinyloxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Molecular FormulaC15H16N2O4S3
Molecular Weight384.5
XLogP2.9
Topological Polar Surface Area162
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity563
SMILES
CC(C)(C)S(=O)OC1=CC2=C(C=C1)N=C(S2)C3=N[C@H](CS3)C(=O)O
InChI
InChI=1S/C15H16N2O4S3/c1-15(2,3)24(20)21-8-4-5-9-11(6-8)23-13(16-9)12-17-10(7-22-12)14(18)19/h4-6,10H,7H2,1-3H3,(H,18,19)/t10-,24?/m1/s1
InChIKey
RTJSOILZPWXLDW-URGTUCKKSA-N
Chemical Structure
2D Structure
2D structure of SEluc-2
CAS: 2421112-19-6
CID: 162341787
Formula: C15H16N2O4S3
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass384.02722052
Monoisotopic Mass384.02722052
Topological Polar Surface Area162 Ų
Heavy Atom Count24
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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