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LED209

CAT: 0931-T2703-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T2703-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
245342-14-7
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.98
Bioactivity
LED209, a specific inhibitor of quorum sensor QseC of GNB, can generate a multifunctional agent PAMAM-LED209.
Smiles
O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1
Molecular Formula
C19H17N3O2S2
Molecular Weight
383.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
CAS Number245342-14-7
PubChem CID3421033
IUPAC Name1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
Molecular FormulaC19H17N3O2S2
Molecular Weight383.5
XLogP3.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity542
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H17N3O2S2/c23-26(24,22-17-9-5-2-6-10-17)18-13-11-16(12-14-18)21-19(25)20-15-7-3-1-4-8-15/h1-14,22H,(H2,20,21,25)
InChIKey
HNDRSTUKPCLQLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
CAS: 245342-14-7
CID: 3421033
Formula: C19H17N3O2S2
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass383.07621914
Monoisotopic Mass383.07621914
Topological Polar Surface Area111 Ų
Heavy Atom Count26
Formal Charge0
Complexity542
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

Alternative Products

CatalogName
B5902-5LED209
A12219-200LED209 200mg
A12219-50LED209 50mg
A12219-10LED209 10mg
A12219-100LED209 100mg
A12219-25LED209 25mg
A12219-5LED209 5mg
SC3310-5mgLED209 (QseC inhibitor)

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