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Fluorescein-PEG3-NH-Boc

CAT: 0013-GTR19226532-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226532-01Size:100 mg
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Description
Fluorescein-PEG3-NH-Boc is a fluorescent PROTAC linker used in chemical biology research. It facilitates the construction of bifunctional molecules for targeted protein degradation studies in both cellular and biochemical assay systems.
CAS Number
1807534-77-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) NCCOCCOCCOCCNC (=S) NC1=CC=C2C (=C1) C (=O) OC32C4=CC=C (O) C=C4OC5=CC (O) =CC=C53
Molecular Formula
C34H39N3O10S
Molecular Weight
681.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fluorescein-PEG3-(N-Boc)-Amine
CAS Number1807534-77-5
PubChem CID91757933
IUPAC Nametert-butyl N-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC34H39N3O10S
Molecular Weight681.8
XLogP3.3
Topological Polar Surface Area198
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count48
Formal Charge0
Complexity1070
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=S)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C34H39N3O10S/c1-33(2,3)47-32(41)36-11-13-43-15-17-44-16-14-42-12-10-35-31(48)37-21-4-7-25-24(18-21)30(40)46-34(25)26-8-5-22(38)19-28(26)45-29-20-23(39)6-9-27(29)34/h4-9,18-20,38-39H,10-17H2,1-3H3,(H,36,41)(H2,35,37,48)
InChIKey
SVPKKGHAKHLTNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorescein-PEG3-(N-Boc)-Amine
CAS: 1807534-77-5
CID: 91757933
Formula: C34H39N3O10S
MW: 681.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight681.8
XLogP33.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass681.23561562
Monoisotopic Mass681.23561562
Topological Polar Surface Area198 Ų
Heavy Atom Count48
Formal Charge0
Complexity1070
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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