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M4K2306

CAT: 0013-GTR19262107-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262107-01Size:50 mg
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Description
M4K2306 is a selective inhibitor of activin receptor-like kinase 2 (ALK2) with an IC50 of 7 nM. It is capable of penetrating the blood-brain barrier, exhibiting a brain-to-plasma ratio of 75.6.
CAS Number
3034840-25-7
Field of Research
Stem Cell & Developmental Biology
Smiles
N1=CC (C2=CC (OC) =C (OC) C (OC) =C2) =C3C (=C1) C4=CC=C (C=C4CN (C) C3) N5CCN (C) CC5
Molecular Formula
C28H34N4O3
Molecular Weight
474.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Methyl-9-(4-methylpiperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine
CAS Number3034840-25-7
PubChem CID171364400
IUPAC Name6-methyl-9-(4-methylpiperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine
Molecular FormulaC28H34N4O3
Molecular Weight474.6
XLogP3.4
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity661
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)C4=CN=CC(=C4CN(C3)C)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C28H34N4O3/c1-30-8-10-32(11-9-30)21-6-7-22-20(12-21)17-31(2)18-25-23(15-29-16-24(22)25)19-13-26(33-3)28(35-5)27(14-19)34-4/h6-7,12-16H,8-11,17-18H2,1-5H3
InChIKey
PPSFKSKLBMNVCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-9-(4-methylpiperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine
CAS: 3034840-25-7
CID: 171364400
Formula: C28H34N4O3
MW: 474.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass474.26309096
Monoisotopic Mass474.26309096
Topological Polar Surface Area50.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity661
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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