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Anticancer agent 37

CAT: 0013-GTR19187082-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187082-03Size:100 mg
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Description
Anticancer agent 37 is a sulfonylurea-based small molecule with demonstrated in vitro efficacy against hepatocellular carcinoma, specifically inhibiting HepG2 cell proliferation with an IC50 of 17.2 μg/mL. Its research applications include investigating anticancer mechanisms and cytotoxicity in biochemical assays.
CAS Number
905783-28-0
Smiles
N (C (NC1=CC=C (C) C=C1) =O) C2=NC (=CS2) C3=CC (OC) =C (OC) C=C3
Molecular Formula
C19H19N3O3S
Molecular Weight
369.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticancer agent 37
CAS Number905783-28-0
PubChem CID35137404
IUPAC Name1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
Molecular FormulaC19H19N3O3S
Molecular Weight369.4
XLogP3.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity459
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H19N3O3S/c1-12-4-7-14(8-5-12)20-18(23)22-19-21-15(11-26-19)13-6-9-16(24-2)17(10-13)25-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKey
ZOTACLSUTWXWJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 37
CAS: 905783-28-0
CID: 35137404
Formula: C19H19N3O3S
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass369.11471265
Monoisotopic Mass369.11471265
Topological Polar Surface Area101 Ų
Heavy Atom Count26
Formal Charge0
Complexity459
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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