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N-Demethyl MK-6884

CAT: 0013-GTR19186643-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186643-01Size:25 mg
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Description
N-Demethyl MK-6884 (compound 34) is a potent and selective allosteric modulator of the muscarinic acetylcholine receptor M4 (M4 mAChR) . It is a valuable research tool for investigating Alzheimer's disease and other CNS disorders, supporting both in vitro binding studies and in vivo behavioral experiments.
CAS Number
2102194-36-3
Field of Research
Neuroscience
Smiles
CC1 (Cn2cc (cn2) -c2ccc (nc2-c2ccc3CNC (=O) c3c2) C#N) CCCC1
Molecular Formula
C24H23N5O
Molecular Weight
397.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Demethyl MK-6884
CAS Number2102194-36-3
PubChem CID129301903
IUPAC Name5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
Molecular FormulaC24H23N5O
Molecular Weight397.5
XLogP3.5
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity695
SMILES
CC1(CCCC1)CN2C=C(C=N2)C3=C(N=C(C=C3)C#N)C4=CC5=C(CNC5=O)C=C4
InChI
InChI=1S/C24H23N5O/c1-24(8-2-3-9-24)15-29-14-18(13-27-29)20-7-6-19(11-25)28-22(20)16-4-5-17-12-26-23(30)21(17)10-16/h4-7,10,13-14H,2-3,8-9,12,15H2,1H3,(H,26,30)
InChIKey
UJZZUFNAQWAFMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Demethyl MK-6884
CAS: 2102194-36-3
CID: 129301903
Formula: C24H23N5O
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass397.19026037
Monoisotopic Mass397.19026037
Topological Polar Surface Area83.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity695
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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Alternative Products

CatalogName
T61878-01N-Demethyl MK-6884
AR-A05605-01N-Desmethyl Adavosertib (MK-1775)
AR-A05601-01N-Nitroso Desmethyl Adavosertib (MK-1775)
217557MK-2 Inhibitor IV, MK-25 (MAPKAP-K2 Inhibitor IV, MK-25, 5- (4-Chlorophenyl) -N- (4- (piperazin-1-yl) phenyl) -N- (pyridin-2-ylmethyl) furan-2-carboxamide, HCl)
MBS6091732-01Rizatriptan, Benzoate (N,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine, Benzoate, MK-0462, MK-462, Maxalt)
R2032-29Rizatriptan, Benzoate (N, N-Dimethyl-5- (1H-1,2,4-triazol-1-ylmethyl) -1H-indole-3-ethanamine, Benzoate, MK-0462, MK-462, Maxalt)
T8078-01Tozasertib, Free Base (N-[4-[[4- (4-methylpiperazin-1-yl) -6-[ (5-methyl-1H-pyrazol-3-yl) amino]pyrimidin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide, VX-680, MK-0457, VX6)
MBS655388-01Tozasertib, Free Base (N-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide, VX-680, MK-0457, VX6)
BA5500-1MK-6884
CS-T-15174N-Demethyl Ondansetron

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