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Lipofermata

CAT: 0931-T11854-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T11854-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
297180-15-5
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9965
Bioactivity
Lipofermata, a fatty acid transport protein (FATP) inhibitor, prevents lipid transport to melanoma cells and reduces their growth and invasion.
Smiles
Brc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1
Molecular Formula
C15H10BrN3OS
Molecular Weight
360.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5'-bromo-5-phenyl-spiro(3H-1,3,4-thiadiazole-2,3'-indoline)-2'-one

a fatty acid transporter inhibitor; structure in first source

CAS Number297180-15-5
PubChem CID3136622
IUPAC Name5-bromo-5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
Molecular FormulaC15H10BrN3OS
Molecular Weight360.2
XLogP3.8
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity480
SMILES
C1=CC=C(C=C1)C2=NNC3(S2)C4=C(C=CC(=C4)Br)NC3=O
InChI
InChI=1S/C15H10BrN3OS/c16-10-6-7-12-11(8-10)15(14(20)17-12)19-18-13(21-15)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)
InChIKey
RRBYYBWDUNSVAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-bromo-5-phenyl-spiro(3H-1,3,4-thiadiazole-2,3'-indoline)-2'-one
CAS: 297180-15-5
CID: 3136622
Formula: C15H10BrN3OS
MW: 360.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.2
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass358.97280
Monoisotopic Mass358.97280
Topological Polar Surface Area78.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes