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Chemical structure of dCeMM3

GC68949

dCeMM3

Also known as 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide

dCeMM3 (Compound 3) is a type of glue-degrading agent· It induces ubiquitination and degradation of cyclin K by promoting the interaction between CDK12-cyclin K and CRL4B ligase complex

ChemicalCAS311787-85-6MW318.78FormulaC14H11ClN4OS
CAS number
311787-85-6
Molecular weight
318.78
Formula
C14H11ClN4OS
Solubility
DMSO ： 50 mg/mL (156·85 mM; Need ultrasonic)
InChIKey
OOYJNUNOVRCHJZ-UHFFFAOYSA-N
Catalogue number
GC68949
Brand
GLPBIO
Computed properties PubChem CID 684872 · XLogP 3.1 · TPSA 96 Ų · H-bond donors 2
XLogP
3.1
TPSA
96 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

SMILES C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=NC=C(C=C3)Cl

Computed descriptors from PubChem (CID 684872), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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