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Coumarin-PEG2-TCO

CAT: 0013-GTR19341618-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19341618-01Size:5 mg
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Description
Coumarin-PEG2-TCO is a fluorescent probe containing a trans-cyclooctene (TCO) group for rapid bioorthogonal conjugation with tetrazines via inverse electron-demand Diels-Alder (iEDDA) chemistry. It is applied in live-cell imaging, in vivo targeting, and bioconjugation studies due to its fast kinetics and biocompatibility.
CAS Number
2488174-19-0
Field of Research
Metabolism Research; Pharmacology & Drug Discovery
Molecular Weight
543.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Coumarin-PEG2-TCO
CAS Number2488174-19-0
PubChem CID168444050
IUPAC Name[(1S,2Z)-cyclooct-2-en-1-yl] N-[2-[2-[2-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC29H41N3O7
Molecular Weight543.7
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count39
Formal Charge0
Complexity843
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCOCCOCCNC(=O)O[C@H]/3CCCCC/C=C3
InChI
InChI=1S/C29H41N3O7/c1-3-32(4-2)23-13-12-22-20-25(28(34)39-26(22)21-23)27(33)30-14-16-36-18-19-37-17-15-31-29(35)38-24-10-8-6-5-7-9-11-24/h8,10,12-13,20-21,24H,3-7,9,11,14-19H2,1-2H3,(H,30,33)(H,31,35)/b10-8-/t24-/m1/s1
InChIKey
OSUBXIYFFJVZIR-NECUJFQYSA-N
Chemical Structure
2D Structure
2D structure of Coumarin-PEG2-TCO
CAS: 2488174-19-0
CID: 168444050
Formula: C29H41N3O7
MW: 543.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.7
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass543.29445066
Monoisotopic Mass543.29445066
Topological Polar Surface Area115 Ų
Heavy Atom Count39
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS5824327Coumarin-C2-TCO
HY-156306Coumarin-PEG3-TCO
T207937-01HyNic-PEG2-TCO
HY-141177-01TCO-PEG2-amine
HY-155322-01Cy3-PEG2-TCO
T208595-01Cy5-PEG2-TCO
HY-W800750TCO-PEG2-acid
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