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Chemical structure of JHU 37160

GC50682

JHU 37160

Also known as 3-chloro-6-(4-ethylpiperazin-1-yl)-10-fluoro-11H-benzo[b][1,4]benzodiazepine

JHU 37160 is a potent and brain-penetrant DREADD agonist, with EC50s of 18·5nM and 0·2nM for hM3Dq and hM4Di DREADDs in HEK-293 cells, respectively

ChemicalCAS2369979-68-8MW358.85FormulaC19H20ClFN4
CAS number
2369979-68-8
Molecular weight
358.85
Formula
C19H20ClFN4
Solubility
DMSO|17·94|50|
InChIKey
SWSCWOSASZXIRK-UHFFFAOYSA-N
Catalogue number
GC50682
Brand
GLPBIO
Computed properties PubChem CID 139033723 · XLogP 3.5 · TPSA 30.9 Ų · H-bond donors 1
XLogP
3.5
TPSA
30.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

SMILES CCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=C2C=CC=C4F

Computed descriptors from PubChem (CID 139033723), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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