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CRBN ligand-717

CAT: 0013-GTR19276076-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276076-01Size:50 mg
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Description
CRBN ligand-717 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon proteins. It can be connected to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925096-51-9
Smiles
O=CC1=C2C=CC=C (C2=NN1C) N3C (=O) NC (=O) CC3
Molecular Formula
C13H12N4O3
Molecular Weight
272.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-3-carbaldehyde
CAS Number2925096-51-9
PubChem CID169548636
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methylindazole-3-carbaldehyde
Molecular FormulaC13H12N4O3
Molecular Weight272.26
XLogP0
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity441
SMILES
CN1C(=C2C=CC=C(C2=N1)N3CCC(=O)NC3=O)C=O
InChI
InChI=1S/C13H12N4O3/c1-16-10(7-18)8-3-2-4-9(12(8)15-16)17-6-5-11(19)14-13(17)20/h2-4,7H,5-6H2,1H3,(H,14,19,20)
InChIKey
LYMREZJVVBQICI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-3-carbaldehyde
CAS: 2925096-51-9
CID: 169548636
Formula: C13H12N4O3
MW: 272.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.26
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass272.09094026
Monoisotopic Mass272.09094026
Topological Polar Surface Area84.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity441
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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