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MS0124

CAT: 0931-T28112-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T28112-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197196-63-6
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9956
Bioactivity
MS0124 is a potent and selective G9A-like protein (GLP) inhibitor with IC50 values of 13±4 nM and 440±63 nM, respectively.
Smiles
N(C=1C2=C(N=C(N1)N3CCOCC3)C=C(OC)C(OC)=C2)C4CCN(C)CC4
Molecular Formula
C20H29N5O3
Molecular Weight
387.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6,7-Dimethoxy-N-(1-Methylpiperidin-4-Yl)-2-(Morpholin-4-Yl)quinazolin-4-Amine
CAS Number1197196-63-6
PubChem CID44605026
IUPAC Name6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylquinazolin-4-amine
Molecular FormulaC20H29N5O3
Molecular Weight387.5
XLogP2.5
Topological Polar Surface Area72
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity484
SMILES
CN1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)N4CCOCC4
InChI
InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
InChIKey
MEVMMQQJOXBSAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dimethoxy-N-(1-Methylpiperidin-4-Yl)-2-(Morpholin-4-Yl)quinazolin-4-Amine
CAS: 1197196-63-6
CID: 44605026
Formula: C20H29N5O3
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass387.22703980
Monoisotopic Mass387.22703980
Topological Polar Surface Area72 Ų
Heavy Atom Count28
Formal Charge0
Complexity484
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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