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Anticancer agent 208

CAT: 0931-T88214-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T88214-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
894565-34-5
Target
Others
Related Pathways
Others
Bioactivity
Anticancer Agent 208 (C014) is a compound used for inhibiting cancer or preventing its recurrence.
Smiles
O=C(NC1=NN=C(S1)S(=O)(=O)N(C)CC2=CC=C(OC)C(OC)=C2)C(C)C
Molecular Formula
C16H22N4O5S2
Molecular Weight
414.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 208
CAS Number894565-34-5
PubChem CID16023067
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)methyl-methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
Molecular FormulaC16H22N4O5S2
Molecular Weight414.5
XLogP1.8
Topological Polar Surface Area147
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity598
SMILES
CC(C)C(=O)NC1=NN=C(S1)S(=O)(=O)N(C)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H22N4O5S2/c1-10(2)14(21)17-15-18-19-16(26-15)27(22,23)20(3)9-11-6-7-12(24-4)13(8-11)25-5/h6-8,10H,9H2,1-5H3,(H,17,18,21)
InChIKey
OUGPNRDVJQTZPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 208
CAS: 894565-34-5
CID: 16023067
Formula: C16H22N4O5S2
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass414.10316216
Monoisotopic Mass414.10316216
Topological Polar Surface Area147 Ų
Heavy Atom Count27
Formal Charge0
Complexity598
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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