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CRBN ligand-513

CAT: 0013-GTR19276722-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276722-01Size:50 mg
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Description
CRBN ligand-513 is a ligand for the E3 ubiquitin ligase cereblon (CRBN) used for recruiting the cereblon protein. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925082-45-5
Smiles
O=CC1=CC (=CC=2C=NNC12) N3C (=O) NC (=O) CC3
Molecular Formula
C12H10N4O3
Molecular Weight
258.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carbaldehyde
CAS Number2925082-45-5
PubChem CID169548518
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carbaldehyde
Molecular FormulaC12H10N4O3
Molecular Weight258.23
XLogP-0.3
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity414
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C(=C2)C=O)NN=C3
InChI
InChI=1S/C12H10N4O3/c17-6-8-4-9(3-7-5-13-15-11(7)8)16-2-1-10(18)14-12(16)19/h3-6H,1-2H2,(H,13,15)(H,14,18,19)
InChIKey
PIOLOUUYRRJKPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carbaldehyde
CAS: 2925082-45-5
CID: 169548518
Formula: C12H10N4O3
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass258.07529019
Monoisotopic Mass258.07529019
Topological Polar Surface Area95.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity414
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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