Products for Research Use Only

LED-209

CAT: 0013-GTR19162513-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162513-06Size:100 mg
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Description
LED-209 is a bacterial conserved membrane histidine sensor kinase QseC inhibitor; prevents autophosphorylation and inhibits QseC-mediated activation of virulence gene expression; inhibits the virulence of several pathogens in vitro and in vivo in animals.
CAS Number
245342-14-7
Product Name Alternative
LED 209 | LED209
Purity
>98% (HPLC)
Solubility
DMSO: < 3.8 mg/mL
Smiles
S=C (NC1=CC=C (S (=O) (NC2=CC=CC=C2) =O) C=C1) NC3=CC=CC=C3
Molecular Formula
C19H17N3O2S2
Molecular Weight
383.4872
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzenesulfonamide, N-phenyl-4-[[ (phenylamino) thioxomethyl]amino]-

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...
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

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