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CRBN ligand-643

CAT: 0013-GTR19275230-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275230-01Size:50 mg
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Description
CRBN ligand-643 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), employed to recruit the cereblon protein. This ligand can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925071-06-1
Smiles
O=C (O) C1=NNC=2C=C (C=CC12) N3C (=O) NC (=O) CC3
Molecular Formula
C12H10N4O4
Molecular Weight
274.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-3-carboxylic acid
CAS Number2925071-06-1
PubChem CID169548671
IUPAC Name6-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-3-carboxylic acid
Molecular FormulaC12H10N4O4
Molecular Weight274.23
XLogP0.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity455
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=C2)C(=NN3)C(=O)O
InChI
InChI=1S/C12H10N4O4/c17-9-3-4-16(12(20)13-9)6-1-2-7-8(5-6)14-15-10(7)11(18)19/h1-2,5H,3-4H2,(H,14,15)(H,18,19)(H,13,17,20)
InChIKey
NCEMRAHXHNGYIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-3-carboxylic acid
CAS: 2925071-06-1
CID: 169548671
Formula: C12H10N4O4
MW: 274.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.23
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass274.07020481
Monoisotopic Mass274.07020481
Topological Polar Surface Area115 Ų
Heavy Atom Count20
Formal Charge0
Complexity455
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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