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CRBN ligand-744

CAT: 0013-GTR19275666-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275666-01Size:10 mg
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Description
CRBN ligand-744 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used for recruiting the cereblon protein. It can be linked by a linker to a target protein ligand to form a PROTAC.
CAS Number
2925081-80-5
Smiles
O=C (O) C1=CC=2C=CC (=CC2N1C) N3C (=O) NC (=O) CC3
Molecular Formula
C14H13N3O4
Molecular Weight
287.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-2-carboxylic acid
CAS Number2925081-80-5
PubChem CID169548758
IUPAC Name6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindole-2-carboxylic acid
Molecular FormulaC14H13N3O4
Molecular Weight287.27
XLogP0.5
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
CN1C(=CC2=C1C=C(C=C2)N3CCC(=O)NC3=O)C(=O)O
InChI
InChI=1S/C14H13N3O4/c1-16-10-7-9(17-5-4-12(18)15-14(17)21)3-2-8(10)6-11(16)13(19)20/h2-3,6-7H,4-5H2,1H3,(H,19,20)(H,15,18,21)
InChIKey
ORJCPJYEZGRSKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methyl-1H-indole-2-carboxylic acid
CAS: 2925081-80-5
CID: 169548758
Formula: C14H13N3O4
MW: 287.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.27
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass287.09060590
Monoisotopic Mass287.09060590
Topological Polar Surface Area91.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
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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