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SF2523

CAT: 0127-BUP09486-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09486-02Size:10 mg
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CAS Number
1174428-47-7
Purity
=95%
Smiles
O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1

Chemical Information

3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-morpholino-7H-thieno[3,2-b]pyran-7-one

SF2523 is a member of the class of thienopyrans that is 7H-thieno[3,2-b]pyran-7-one substituted by 2,3-dihydro-1,4-benzodioxin-6-yl and morpholin-4-yl groups at positions 3 and 5, respectively. It is a dual inhibitor of PI3K and BRD4 that exhibits antineoplastic activity. It has a role as a bromodomain-containing protein 4 inhibitor, an autophagy inducer, an anticoronaviral agent, an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an apoptosis inducer. It is a member of morpholines, a thienopyran and a benzodioxine.

CAS Number1174428-47-7
PubChem CID44180156
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
Molecular FormulaC19H17NO5S
Molecular Weight371.4
XLogP2.9
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity578
SMILES
C1COCCN1C2=CC(=O)C3=C(O2)C(=CS3)C4=CC5=C(C=C4)OCCO5
InChI
InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
InChIKey
BYTKNUOMWLJVNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-morpholino-7H-thieno[3,2-b]pyran-7-one
CAS: 1174428-47-7
CID: 44180156
Formula: C19H17NO5S
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass371.08274382
Monoisotopic Mass371.08274382
Topological Polar Surface Area85.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity578
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