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SW203668 (TFA)

CAT: 0804-HY-124084A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124084A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SW203668 TFA is a benzothiazole compound, shows anti-tumor activity against lung cancer cell lines (IC50=0.022-0.116 μM)
CAS Number
2117405-48-6
UNSPSC
12352005
Target
Bacterial; Drug Derivative
Type
Reference compound
Related Pathways
Anti-infection; Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/sw203668-tfa.html
Smiles
O=C(NC1=NC2=CC=C(OC)C=C2S1)C3=CC=C(C(N)C4=CC=CC=C4)C=C3.O=C(O)C(F)(F)F
Molecular Formula
C24H20F3N3O4S
Molecular Weight
503.49
References & Citations
[1]Theodoropoulos PC, et al. Discovery of tumor-specific irreversible inhibitors of stearoyl CoA desaturase. Nat Chem Biol. 2016 Apr;12 (4) :218-25.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SW203668 trifluoroacetate, >=98% (HPLC)
CAS Number2117405-48-6
PubChem CID124203915
IUPAC Name4-[amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;2,2,2-trifluoroacetic acid
Molecular FormulaC24H20F3N3O4S
Molecular Weight503.5
Topological Polar Surface Area143
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity603
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C(C4=CC=CC=C4)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C22H19N3O2S.C2HF3O2/c1-27-17-11-12-18-19(13-17)28-22(24-18)25-21(26)16-9-7-15(8-10-16)20(23)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-13,20H,23H2,1H3,(H,24,25,26);(H,6,7)
InChIKey
SIUPHFAIFLEFIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SW203668 trifluoroacetate, >=98% (HPLC)
CAS: 2117405-48-6
CID: 124203915
Formula: C24H20F3N3O4S
MW: 503.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass503.11266179
Monoisotopic Mass503.11266179
Topological Polar Surface Area143 Ų
Heavy Atom Count35
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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