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CRBN ligand-730

CAT: 0013-GTR19277246-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277246-01Size:50 mg
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Description
CRBN ligand-730 is an E3 ubiquitin ligase cereblon (CRBN) ligand that is used to recruit cereblon proteins. The compound can be connected to a target protein ligand using a linker to form a PROTAC.
CAS Number
2925072-83-7
Smiles
O=CC1=CC (=CC2=CN (N=C12) C) N3C (=O) NC (=O) CC3
Molecular Formula
C13H12N4O3
Molecular Weight
272.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-7-carbaldehyde
CAS Number2925072-83-7
PubChem CID169548637
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methylindazole-7-carbaldehyde
Molecular FormulaC13H12N4O3
Molecular Weight272.26
XLogP-0.3
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=C(C=C(C2=N1)C=O)N3CCC(=O)NC3=O
InChI
InChI=1S/C13H12N4O3/c1-16-6-8-4-10(5-9(7-18)12(8)15-16)17-3-2-11(19)14-13(17)20/h4-7H,2-3H2,1H3,(H,14,19,20)
InChIKey
GRUFETILNYAFCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-7-carbaldehyde
CAS: 2925072-83-7
CID: 169548637
Formula: C13H12N4O3
MW: 272.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.26
XLogP3-0.3
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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