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Chemical structure of Emraclidine

GC63484

Emraclidine

Also known as 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone

Emraclidine (CVL-231) is a muscarinic M4 receptor positive allosteric modulator (WO2018002760, compound 11)

ChemicalCAS2170722-84-4MW390.4FormulaC20H21F3N4O
CAS number
2170722-84-4
Molecular weight
390.4
Formula
C20H21F3N4O
Solubility
DMSO ： 25 mg/mL (64·04 mM; Need ultrasonic)
InChIKey
DTCZNKWBDTXEBS-UHFFFAOYSA-N
Catalogue number
GC63484
Brand
GLPBIO
Computed properties PubChem CID 140830653 · XLogP 2.2 · TPSA 49.3 Ų · H-bond donors 0
XLogP
2.2
TPSA
49.3 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28

SMILES CC1=CC(=NC2=C1CN(C2)C(=O)CC3CN(C3)C4=CC(=NC=C4)C(F)(F)F)C

Computed descriptors from PubChem (CID 140830653), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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