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Anticancer agent 240

CAT: 0931-T88892-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T88892-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3039831-27-8
Bioactivity
Anticanceragent 240 (compound 9b) is an 8-quinolinesulfonamide derivative with cytotoxic activity. It exhibits inhibitory effects on the Caco-2, SNB-19, A-549, and SKOV-3 cell lines, with IC50 values of 0.26, 0.38, 0.40, and 4.16 μM, respectively.
Smiles
O=S(=O)(C1=CC=CC2=CC=CN=C21)N(C)CC=3N=NN(C3)C=4C=CN=C5C=C(Cl)C=CC54
Molecular Formula
C22H17ClN6O2S
Molecular Weight
464.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 240
CAS Number3039831-27-8
PubChem CID172419451
IUPAC NameN-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]-N-methylquinoline-8-sulfonamide
Molecular FormulaC22H17ClN6O2S
Molecular Weight464.9
XLogP3.2
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity751
SMILES
CN(CC1=CN(N=N1)C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C22H17ClN6O2S/c1-28(32(30,31)21-6-2-4-15-5-3-10-25-22(15)21)13-17-14-29(27-26-17)20-9-11-24-19-12-16(23)7-8-18(19)20/h2-12,14H,13H2,1H3
InChIKey
FMABZMLEOHDPLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 240
CAS: 3039831-27-8
CID: 172419451
Formula: C22H17ClN6O2S
MW: 464.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.9
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass464.0822227
Monoisotopic Mass464.0822227
Topological Polar Surface Area102 Ų
Heavy Atom Count32
Formal Charge0
Complexity751
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

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