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CRBN ligand-616

CAT: 0013-GTR19276480-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276480-01Size:10 mg
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Description
CRBN ligand-616 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), utilized for the recruitment of cereblon proteins. It can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2858741-81-6
Smiles
O=CC1CCN (C2=CC=C (C (F) =C2) C3C (=O) NC (=O) CC3) CC1
Molecular Formula
C17H19FN2O3
Molecular Weight
318.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[4-(2,6-Dioxopiperidin-3-YL)-3-fluorophenyl]piperidine-4-carbaldehyde
CAS Number2858741-81-6
PubChem CID166113680
IUPAC Name1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidine-4-carbaldehyde
Molecular FormulaC17H19FN2O3
Molecular Weight318.34
XLogP1.2
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity476
SMILES
C1CC(=O)NC(=O)C1C2=C(C=C(C=C2)N3CCC(CC3)C=O)F
InChI
InChI=1S/C17H19FN2O3/c18-15-9-12(20-7-5-11(10-21)6-8-20)1-2-13(15)14-3-4-16(22)19-17(14)23/h1-2,9-11,14H,3-8H2,(H,19,22,23)
InChIKey
JDOUJACJUYXJCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(2,6-Dioxopiperidin-3-YL)-3-fluorophenyl]piperidine-4-carbaldehyde
CAS: 2858741-81-6
CID: 166113680
Formula: C17H19FN2O3
MW: 318.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.34
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass318.13797063
Monoisotopic Mass318.13797063
Topological Polar Surface Area66.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity476
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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