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M4K2308

CAT: 0013-GTR19240264-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240264-01Size:25 mg
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Description
M4K2308 is a potent and selective ether-linked ALK2 inhibitor with an IC50 of 2 nM, showing over 100-fold selectivity against ALK5 (IC50 = 224 nM) . It is a valuable research tool for studying ALK2 signaling in Diffuse Intrinsic Pontine Glioma (DIPG) models, both in vitro and in vivo.
CAS Number
3034840-18-8
Field of Research
Stem Cell & Developmental Biology
Smiles
N1=CC (C2=CC (OC) =C (OC) C (OC) =C2) =C3C (=C1) C4=CC=C (C=C4OCC3) N5CCNCC5
Molecular Formula
C26H29N3O4
Molecular Weight
447.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9-Piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
CAS Number3034840-18-8
PubChem CID166513906
IUPAC Name9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
Molecular FormulaC26H29N3O4
Molecular Weight447.5
XLogP3.5
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity604
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C3CCOC4=C(C3=CN=C2)C=CC(=C4)N5CCNCC5
InChI
InChI=1S/C26H29N3O4/c1-30-24-12-17(13-25(31-2)26(24)32-3)21-15-28-16-22-19(21)6-11-33-23-14-18(4-5-20(22)23)29-9-7-27-8-10-29/h4-5,12-16,27H,6-11H2,1-3H3
InChIKey
QFFKJPJEWNRMHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
CAS: 3034840-18-8
CID: 166513906
Formula: C26H29N3O4
MW: 447.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass447.21580641
Monoisotopic Mass447.21580641
Topological Polar Surface Area65.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity604
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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