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AS2541019

CAT: 1410-M13323-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M13323-01Size:1 Each
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Description
AS2541019 is a novel potent, selective, orally active PI3Kδ inhibitor with IC50 of 20.1 nM.
CAS Number
2098906-98-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
529.593
Molecular Formula
C26H33F2N7O3
Notes
Research use only, not for human use.
Receptor
PI3K

Chemical Information

N-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxycyclohexyl]-2-(dimethylamino)acetamide
CAS Number2098906-98-8
PubChem CID46870913
IUPAC NameN-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxycyclohexyl]-2-(dimethylamino)acetamide
Molecular FormulaC26H33F2N7O3
Molecular Weight529.6
XLogP3.5
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity767
SMILES
CN(C)CC(=O)NC1CCC(CC1)OC2=NC(=NC(=C2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5
InChI
InChI=1S/C26H33F2N7O3/c1-33(2)16-22(36)29-17-7-9-18(10-8-17)38-23-15-21(31-26(32-23)34-11-13-37-14-12-34)35-20-6-4-3-5-19(20)30-25(35)24(27)28/h3-6,15,17-18,24H,7-14,16H2,1-2H3,(H,29,36)
InChIKey
IEXOUJYSSRXBPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxycyclohexyl]-2-(dimethylamino)acetamide
CAS: 2098906-98-8
CID: 46870913
Formula: C26H33F2N7O3
MW: 529.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass529.26129426
Monoisotopic Mass529.26129426
Topological Polar Surface Area97.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity767
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

Alternative Products

CatalogName
MBS3603323-01AS2541019

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