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CRBN ligand-641

CAT: 0013-GTR19276014-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276014-01Size:10 mg
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Description
CRBN ligand-641 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon proteins. It can be linked via a linker to a target protein ligand to form a PROTAC.
CAS Number
2925074-15-1
Smiles
O=C (O) C1=CC=2C=NNC2C (=C1) N3C (=O) NC (=O) CC3
Molecular Formula
C12H10N4O4
Molecular Weight
274.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-5-carboxylic acid
CAS Number2925074-15-1
PubChem CID169548672
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-5-carboxylic acid
Molecular FormulaC12H10N4O4
Molecular Weight274.23
XLogP-0.2
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=CC(=CC3=C2NN=C3)C(=O)O
InChI
InChI=1S/C12H10N4O4/c17-9-1-2-16(12(20)14-9)8-4-6(11(18)19)3-7-5-13-15-10(7)8/h3-5H,1-2H2,(H,13,15)(H,18,19)(H,14,17,20)
InChIKey
ZFSOEHYRKABSHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-5-carboxylic acid
CAS: 2925074-15-1
CID: 169548672
Formula: C12H10N4O4
MW: 274.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.23
XLogP3-0.2
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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