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CRBN ligand-757

CAT: 0013-GTR19276602-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276602-01Size:10 mg
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Description
CRBN ligand-757 is a ligand of the E3 ubiquitin ligase cereblon (CRBN) used for cereblon protein recruitment. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925100-09-8
Smiles
O=C (O) C1=CC=C (C2=NN (C=C21) C) N3C (=O) NC (=O) CC3
Molecular Formula
C13H12N4O4
Molecular Weight
288.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-4-carboxylic acid
CAS Number2925100-09-8
PubChem CID169548783
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methylindazole-4-carboxylic acid
Molecular FormulaC13H12N4O4
Molecular Weight288.26
XLogP-0.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity483
SMILES
CN1C=C2C(=CC=C(C2=N1)N3CCC(=O)NC3=O)C(=O)O
InChI
InChI=1S/C13H12N4O4/c1-16-6-8-7(12(19)20)2-3-9(11(8)15-16)17-5-4-10(18)14-13(17)21/h2-3,6H,4-5H2,1H3,(H,19,20)(H,14,18,21)
InChIKey
SGJTWONJJLIAMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-dioxo-1,3-diazinan-1-yl)-2-methyl-2H-indazole-4-carboxylic acid
CAS: 2925100-09-8
CID: 169548783
Formula: C13H12N4O4
MW: 288.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.26
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass288.08585488
Monoisotopic Mass288.08585488
Topological Polar Surface Area105 Ų
Heavy Atom Count21
Formal Charge0
Complexity483
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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