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CRBN ligand-504

CAT: 0013-GTR19276799-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276799-01Size:10 mg
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Description
CRBN ligand-504 is an E3 ubiquitin ligase cereblon (CRBN) ligand used for recruiting cereblon proteins. It can be attached to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925089-81-0
Smiles
O=CC1=NNC2=C1C=CC=C2N3C (=O) NC (=O) CC3
Molecular Formula
C12H10N4O3
Molecular Weight
258.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-3-carbaldehyde
CAS Number2925089-81-0
PubChem CID169548515
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)-2H-indazole-3-carbaldehyde
Molecular FormulaC12H10N4O3
Molecular Weight258.23
XLogP0
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=CC=CC3=C(NN=C32)C=O
InChI
InChI=1S/C12H10N4O3/c17-6-8-7-2-1-3-9(11(7)15-14-8)16-5-4-10(18)13-12(16)19/h1-3,6H,4-5H2,(H,14,15)(H,13,18,19)
InChIKey
LXVOVQKBYCKMGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-3-carbaldehyde
CAS: 2925089-81-0
CID: 169548515
Formula: C12H10N4O3
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP30
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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