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WR23

CAT: 0931-T26332-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26332-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1350960-66-5
Target
Others, PI3K
Related Pathways
Others, PI3K/Akt/mTOR signaling
Bioactivity
WR23 is a piperidinylquinoxaline derivative and a phosphoinositide 3-kinase α (PI3Kα) inhibitor.
Smiles
S(=O)(=O)(C=1C(=NC2=C(N1)C=CC=C2)N3CCC(O)CC3)C4=CC=C(Br)C=C4
Molecular Formula
C19H18BrN3O3S
Molecular Weight
448.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CAS Number1350960-66-5
PubChem CID70695983
IUPAC Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidin-4-ol
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.3
XLogP3.4
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity598
SMILES
C1CN(CCC1O)C2=NC3=CC=CC=C3N=C2S(=O)(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H18BrN3O3S/c20-13-5-7-15(8-6-13)27(25,26)19-18(23-11-9-14(24)10-12-23)21-16-3-1-2-4-17(16)22-19/h1-8,14,24H,9-12H2
InChIKey
RGQAORGLDQFYED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CAS: 1350960-66-5
CID: 70695983
Formula: C19H18BrN3O3S
MW: 448.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight448.3
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass447.02523
Monoisotopic Mass447.02523
Topological Polar Surface Area91.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity598
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