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LJI308

CAT: 0607-B6043-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6043-10Size:10 mg
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Description
pan-RSK inhibitor
CAS Number
1627709-94-7
Product Name Alternative
2,6-difluoro-4-(4-(4-morpholinophenyl)pyridin-3-yl)phenol
Field of Research
PI3K Akt mTOR Signaling S6 Kinase
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
FC1=C(O)C(F)=CC(C(C=NC=C2)=C2C3=CC=C(N4CCOCC4)C=C3)=C1
Molecular Formula
C21H18F2N2O2
Molecular Weight
368.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2,6-Difluoro-4-(4-(4-morpholinophenyl)pyridin-3-yl)phenol
CAS Number1627709-94-7
PubChem CID118704762
IUPAC Name2,6-difluoro-4-[4-(4-morpholin-4-ylphenyl)-3-pyridinyl]phenol
Molecular FormulaC21H18F2N2O2
Molecular Weight368.4
XLogP3.7
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity457
SMILES
C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F
InChI
InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
InChIKey
YUYJEQHNWKQNBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Difluoro-4-(4-(4-morpholinophenyl)pyridin-3-yl)phenol
CAS: 1627709-94-7
CID: 118704762
Formula: C21H18F2N2O2
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass368.13363415
Monoisotopic Mass368.13363415
Topological Polar Surface Area45.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity457
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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