S 3304

CAT: 0127-BUP12809-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12809-06Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

203640-27-1

Purity

=95%

Smiles

Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

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 Number	203640-27-1
PubChem CID	10718956
IUPAC Name	(2R)-3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid
Molecular Formula	C24H20N2O4S2
Molecular Weight	464.6
XLogP	5
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	32
Formal Charge	0
Complexity	835

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

CAS: 203640-27-1

CID: 10718956

Formula: C24H20N2O4S2

MW: 464.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.6
XLogP3	5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	464.08644947
Monoisotopic Mass	464.08644947
Topological Polar Surface Area	136 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	835
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T16966-01	S 3304
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GTR19154247-01	BIBO-3304
GTR19217375-01	BIBO 3304
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A20074-100	S 3304 100mg
A20074-50	S 3304 50mg

S 3304

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