Products for Research Use Only
RegisterLogin

Anticancer agent 46

CAT: 0931-T60852-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T60852-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2426686-17-9
Target
Others
Related Pathways
Others
Purity
0.9718
Bioactivity
Anticancer agent 46 is a potent anti-cancer agent, showing anti-proliferative activity in cellular assays, with an IC50 of 0.986 μM against MGC803 cells.
Smiles
C(=N\NC(NC1=CC=CC=C1)=S)(\C)/C2=C(O)C=CC(Cl)=C2
Molecular Formula
C15H14ClN3OS
Molecular Weight
319.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 46
CAS Number2426686-17-9
PubChem CID145992683
IUPAC Name1-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-phenylthiourea
Molecular FormulaC15H14ClN3OS
Molecular Weight319.8
XLogP3.7
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity385
SMILES
C/C(=N\NC(=S)NC1=CC=CC=C1)/C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C15H14ClN3OS/c1-10(13-9-11(16)7-8-14(13)20)18-19-15(21)17-12-5-3-2-4-6-12/h2-9,20H,1H3,(H2,17,19,21)/b18-10+
InChIKey
RULWGWSLXXARKC-VCHYOVAHSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 46
CAS: 2426686-17-9
CID: 145992683
Formula: C15H14ClN3OS
MW: 319.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.8
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass319.0546109
Monoisotopic Mass319.0546109
Topological Polar Surface Area88.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T210648-01Anticancer agent 274
T210037-01Anticancer agent 239
T210028-01Anticancer agent 221
T209840-01Anticancer agent 213
T209412-01Anticancer agent 189
T209339-01Anticancer agent 196
T209334-01Anticancer agent 195
T206688-01Anticancer agent 270
T206158-01Anticancer agent 268
T205406-01Anticancer agent 266

Alternative Products

CatalogName
C8452-10Anticancer agent 43
HY-155158Anticancer agent 147
HY-146040Anticancer agent 47
HY-158392Anticancer agent 219
HY-139711Anticancer agent 13
HY-170527Anticancer agent 260
HY-157931Anticancer agent 192
HY-147968Anticancer agent 74
HY-146407Anticancer agent 53
HY-115960Anticancer agent 35

Popular Products