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VU6009453

CAT: 0013-GTR19274062-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274062-02Size:10 mg
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Description
VU6009453 (compound 15q) is a brain-penetrant positive allosteric modulator (PAM) of the M4 muscarinic acetylcholine receptor (M4mAChR), with an EC50 of 383 nM. It is utilized in research related to neurological disorders.
CAS Number
2148929-11-5
Smiles
O=C (NC1CN (C2=CC (=NC=C2Cl) OC) C1) C=3C=CC=4N=C (C=C (C4C3) C) C
Molecular Formula
C21H21ClN4O2
Molecular Weight
396.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
CAS Number2148929-11-5
PubChem CID135126273
IUPAC NameN-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
Molecular FormulaC21H21ClN4O2
Molecular Weight396.9
XLogP3.8
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity559
SMILES
CC1=CC(=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=CC(=NC=C4Cl)OC)C
InChI
InChI=1S/C21H21ClN4O2/c1-12-6-13(2)24-18-5-4-14(7-16(12)18)21(27)25-15-10-26(11-15)19-8-20(28-3)23-9-17(19)22/h4-9,15H,10-11H2,1-3H3,(H,25,27)
InChIKey
NVGMPSJSLKIVIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
CAS: 2148929-11-5
CID: 135126273
Formula: C21H21ClN4O2
MW: 396.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.9
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass396.1353036
Monoisotopic Mass396.1353036
Topological Polar Surface Area67.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity559
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

Alternative Products

CatalogName
HY-119363VU6009453

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