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S-3304

CAT: 0013-GTR19209948-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209948-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S-3304
CAS Number
193809-34-6
Smiles
C ([C@@H] (NS (=O) (=O) C=1SC (C#CC2=CC=C (C) C=C2) =CC1) C (O) =O) C=3C=4C (NC3) =CC=CC4
Molecular Formula
C24H20N2O4S2
Molecular Weight
464.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S-3304

S-3304 has been used in trials studying the treatment of Lung Cancer, Solid Tumors, Non Small Cell Lung Cancer, Stage IIIB Non Small Cell Lung Cancer, and Stage IIIA Non Small Cell Lung Cancer, among others.

CAS Number193809-34-6
PubChem CID10718956
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid
Molecular FormulaC24H20N2O4S2
Molecular Weight464.6
XLogP5
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity835
SMILES
CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O
InChI
InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
InChIKey
YWCLDDLVLSQGSZ-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of S-3304
CAS: 193809-34-6
CID: 10718956
Formula: C24H20N2O4S2
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass464.08644947
Monoisotopic Mass464.08644947
Topological Polar Surface Area136 Ų
Heavy Atom Count32
Formal Charge0
Complexity835
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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461641S-3304
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