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TH-263

CAT: 0931-T19578-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T19578-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
313520-94-4
Target
Others, LIM Kinase
Related Pathways
Others, Cell Cycle/Checkpoint
Purity
0.9954
Bioactivity
TH-263 is inactive toward both LIMK1 and LIMK2 and thus can be used as negative control for TH-257, and is a diaryl sulfonamide derivative.
Smiles
S(NCC1=CC=CC=C1)(=O)(=O)C2=CC=C(C(NCC3=CC=CC=C3)=O)C=C2
Molecular Formula
C21H20N2O3S
Molecular Weight
380.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-benzyl-4-(benzylsulfamoyl)benzamide
CAS Number313520-94-4
PubChem CID4371240
IUPAC NameN-benzyl-4-(benzylsulfamoyl)benzamide
Molecular FormulaC21H20N2O3S
Molecular Weight380.5
XLogP3.2
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity552
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O3S/c24-21(22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27(25,26)23-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,22,24)
InChIKey
QDGVJMITKNOVTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-benzyl-4-(benzylsulfamoyl)benzamide
CAS: 313520-94-4
CID: 4371240
Formula: C21H20N2O3S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass380.11946368
Monoisotopic Mass380.11946368
Topological Polar Surface Area83.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity552
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