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HL-2

CAT: 0931-T209595-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T209595-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2766352-49-0
Target
Ligands for Target Protein for PROTAC
Related Pathways
PROTAC
Bioactivity
HL-2 is a ligand for the target protein PI3K kinase of HL-8 and can be used in the synthesis of PROTAC.
Smiles
O=C(O)C=1C=CC=CC1C2=NN=C(O2)C3=CN=C4C=CC(=CN43)C=5C=NC(OC)=C(C5)NS(=O)(=O)C6=CC=C(F)C=C6F
Molecular Formula
C28H18F2N6O6S
Molecular Weight
604.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[5-[6-[5-[(2,4-Difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]benzoic acid
CAS Number2766352-49-0
PubChem CID168296954
IUPAC Name2-[5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]benzoic acid
Molecular FormulaC28H18F2N6O6S
Molecular Weight604.5
XLogP4.1
Topological Polar Surface Area170
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1090
SMILES
COC1=C(C=C(C=N1)C2=CN3C(=NC=C3C4=NN=C(O4)C5=CC=CC=C5C(=O)O)C=C2)NS(=O)(=O)C6=C(C=C(C=C6)F)F
InChI
InChI=1S/C28H18F2N6O6S/c1-41-26-21(35-43(39,40)23-8-7-17(29)11-20(23)30)10-16(12-32-26)15-6-9-24-31-13-22(36(24)14-15)27-34-33-25(42-27)18-4-2-3-5-19(18)28(37)38/h2-14,35H,1H3,(H,37,38)
InChIKey
BTTMPBSYSHUREQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-[6-[5-[(2,4-Difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]benzoic acid
CAS: 2766352-49-0
CID: 168296954
Formula: C28H18F2N6O6S
MW: 604.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight604.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass604.09765981
Monoisotopic Mass604.09765981
Topological Polar Surface Area170 Ų
Heavy Atom Count43
Formal Charge0
Complexity1090
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