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LED209

CAT: 0804-HY-19748-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-19748-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LED209 is a potent and orally active small molecule inhibitor of the bacterial receptor QseC and a potent prodrug with high selectivity for QseC. LED209 inhibits the binding of signaling molecules to QseC. LED209 has antibacterial activity[1].
CAS Number
245342-14-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/LED209.html
Purity
98.40
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=S(C1=CC=C(NC(NC2=CC=CC=C2)=S)C=C1)(NC3=CC=CC=C3)=O
Molecular Formula
C19H17N3O2S2
Molecular Weight
383.49
Precautions
H302, H315, H319, H335
References & Citations
[1]Curtis MM, et al. QseC inhibitors as an antivirulence approach for Gram-negative pathogens. MBio. 2014 Nov 11;5 (6) :e02165.|[2]Harrison CF, et al. Adrenergic antagonists restrict replication of Legionella. Microbiology. 2015 Jul;161 (7) :1392-406.|[3]Rasko DA, et al. Targeting QseC signaling and virulence for antibiotic development. Science. 2008 Aug 22;321 (5892) :1078-80.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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
sc-205368ALED209
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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