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SU-11752

CAT: 1410-M15627-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M15627-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SU-11752 is a potent, selective inhibitor of DNA-PK.
CAS Number
688036-19-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
493.57
Molecular Formula
C26H27N3O5S
Notes
Research use only, not for human use.
Receptor
DNA-PK

Chemical Information

3-[2,4-Diethyl-5-[(Z)-[2-oxo-5-(phenylsulfamoyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid
CAS Number688036-19-3
PubChem CID10074436
IUPAC Name3-[2,4-diethyl-5-[(Z)-[2-oxo-5-(phenylsulfamoyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid
Molecular FormulaC26H27N3O5S
Molecular Weight493.6
XLogP3.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity908
SMILES
CCC1=C(NC(=C1CCC(=O)O)CC)/C=C\2/C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4)NC2=O
InChI
InChI=1S/C26H27N3O5S/c1-3-18-19(11-13-25(30)31)22(4-2)27-24(18)15-21-20-14-17(10-12-23(20)28-26(21)32)35(33,34)29-16-8-6-5-7-9-16/h5-10,12,14-15,27,29H,3-4,11,13H2,1-2H3,(H,28,32)(H,30,31)/b21-15-
InChIKey
QUYIGDGKOSEELL-QNGOZBTKSA-N
Chemical Structure
2D Structure
2D structure of 3-[2,4-Diethyl-5-[(Z)-[2-oxo-5-(phenylsulfamoyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid
CAS: 688036-19-3
CID: 10074436
Formula: C26H27N3O5S
MW: 493.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.6
XLogP33.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass493.16714214
Monoisotopic Mass493.16714214
Topological Polar Surface Area137 Ų
Heavy Atom Count35
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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