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SCR130

CAT: 1410-M24094-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M24094-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1,7,9-Triazaspiro[4.5]dec-1-ene-6,10-dione, 2,4-bis (4-chlorophenyl) -8-thioxo- is enzyme inhibition, antiproliferative effects and antifungal activity.
CAS Number
2377858-38-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
418.3
Molecular Formula
C19 H13 Cl2 N3 O2 S
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2,4-Bis(4-chlorophenyl)-8-thioxo-1,7,9-triazaspiro[4.5]dec-1-ene-6,10-dione
CAS Number2377858-38-1
PubChem CID146165950
IUPAC Name2,4-bis(4-chlorophenyl)-8-sulfanylidene-1,7,9-triazaspiro[4.5]dec-1-ene-6,10-dione
Molecular FormulaC19H13Cl2N3O2S
Molecular Weight418.3
XLogP3.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity662
SMILES
C1C(C2(C(=O)NC(=S)NC2=O)N=C1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H13Cl2N3O2S/c20-12-5-1-10(2-6-12)14-9-15(11-3-7-13(21)8-4-11)24-19(14)16(25)22-18(27)23-17(19)26/h1-8,14H,9H2,(H2,22,23,25,26,27)
InChIKey
QEMQLCCYJLGAKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Bis(4-chlorophenyl)-8-thioxo-1,7,9-triazaspiro[4.5]dec-1-ene-6,10-dione
CAS: 2377858-38-1
CID: 146165950
Formula: C19H13Cl2N3O2S
MW: 418.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight418.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass417.0105532
Monoisotopic Mass417.0105532
Topological Polar Surface Area103 Ų
Heavy Atom Count27
Formal Charge0
Complexity662
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

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