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MK-1-907

CAT: 0013-GTR19193514-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193514-01Size:25 mg
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Description
MK-1-907 is a novel small molecule compound of interest for biochemical research. Preliminary studies suggest its utility as a tool compound for in vitro target validation and mechanism of action studies, though its detailed pharmacological profile requires further investigation.
CAS Number
78150-06-8
Smiles
O=C1C (=C (NC=2C=CC=C (OC) C2) CC (C) (C) C1) CN (C) CCC=3C=CC=CC3
Molecular Formula
C25H32N2O2
Molecular Weight
392.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK 1-907

centrally acting drug belonging to enamine ketone Mannich base group; molindone is representative example of this family; structure

CAS Number78150-06-8
PubChem CID187075
IUPAC Name3-(3-methoxyanilino)-5,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohex-2-en-1-one
Molecular FormulaC25H32N2O2
Molecular Weight392.5
XLogP4.8
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity577
SMILES
CC1(CC(=C(C(=O)C1)CN(C)CCC2=CC=CC=C2)NC3=CC(=CC=C3)OC)C
InChI
InChI=1S/C25H32N2O2/c1-25(2)16-23(26-20-11-8-12-21(15-20)29-4)22(24(28)17-25)18-27(3)14-13-19-9-6-5-7-10-19/h5-12,15,26H,13-14,16-18H2,1-4H3
InChIKey
JYURELZDJNNIIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK 1-907
CAS: 78150-06-8
CID: 187075
Formula: C25H32N2O2
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass392.246378268
Monoisotopic Mass392.246378268
Topological Polar Surface Area41.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity577
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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