Products for Research Use Only

PI-828

CAT: 0013-GTR19244299-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244299-07Size:50 mg
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Description
PI-828 is a dual PI3K and casein kinase 2 (CK2) inhibitor with IC50s of 173 nM, 149 nM, and 1127 nM for p110α, CK2, and CK2α2 in lipid kinase assay, respectively.
CAS Number
942289-87-4
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : ≥ 12.5 mg/mL (38.78 mM)
Smiles
Nc1ccc (cc1) -c1cccc2c1oc (cc2=O) N1CCOCC1
Molecular Formula
C19H18N2O3
Molecular Weight
322.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

8-(4-Aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one

8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one is a member of chromones.

CAS Number942289-87-4
PubChem CID25181195
IUPAC Name8-(4-aminophenyl)-2-morpholin-4-ylchromen-4-one
Molecular FormulaC19H18N2O3
Molecular Weight322.4
XLogP2.4
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity493
SMILES
C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N
InChI
InChI=1S/C19H18N2O3/c20-14-6-4-13(5-7-14)15-2-1-3-16-17(22)12-18(24-19(15)16)21-8-10-23-11-9-21/h1-7,12H,8-11,20H2
InChIKey
WUKMIBOGGXMBAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-Aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
CAS: 942289-87-4
CID: 25181195
Formula: C19H18N2O3
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass322.13174244
Monoisotopic Mass322.13174244
Topological Polar Surface Area64.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity493
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