LED209 , CAS No.245342-14-7

CAS: 245342-14-7 Cat. No.: L349122 Molecular Weight: 383.49
AVAILABLE TO ORDER
Synonyms
LED-209;LED 209 | AC-35928 | SCHEMBL3396831 | C74263 | Benzenesulphonamide, N-phenyl-4-(((phenylamino)thioxomethyl)amino)- | FT-0717959 | BS-16236 | 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea | 1-Phenyl-3-(4-(phenylsulfamoyl)phenyl)thiourea | LED209 |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
L349122-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$25.90
5mg
L349122-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$72.90
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Bacterial pathogens require the conserved membrane histidine sensor kinase (QseC) to detect both host-derived adrenergic signals and the bacterial autoinducer-3 (AI-3), thus activating a signaling cascade that induces virulence gene expression. LED209 is a potent QseC inhibitor that blocks both norepinephrine- and epinephrine-triggered QseC-dependent virulence gene expression at 5 pM in vitro. While LED209 inhibits virulence of enterohemorrhagic E. coli, S. typhimurium, and F. tularensis, it does not inhibit pathogen growth, a highly desirable feature of antimicrobial agents to prevent drug resistance.

Specifications

Synonyms
LED-209;LED 209 | AC-35928 | SCHEMBL3396831 | C74263 | Benzenesulphonamide, N-phenyl-4-(((phenylamino)thioxomethyl)amino)- | FT-0717959 | BS-16236 | 1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea | 1-Phenyl-3-(4-(phenylsulfamoyl)phenyl)thiourea | LED209 |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Product Properties
pKapKa: 8.78 (Predicted)
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3
IUPAC Name1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
InChIKeyHNDRSTUKPCLQLT-UHFFFAOYSA-N
INCHI1S/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)
Isomeric SMILES C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3
Molecular Weight 383.49
Reaxy-Rn 26118904
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26118904&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents N-phenylthioureas  Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Thioureas  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonamide - N-phenylthiourea - Sulfanilide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Thiourea - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB3 Tclin Beta-3 adrenergic receptor (5850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Francisella tularensis subsp. tularensis SCHU S4 (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySoluble in ethanol (~0.15 mg/ml), DMSO (~20 mg/ml), and DMF (~20 mg/ml).
Refractive Indexn20D1.74 (Predicted)
Boil Point(°C)~549.4° C at 760 mmHg (Predicted)
Melt Point(°C)237.34° C (Predicted)
Molecular Weight383.500 g/mol
XLogP33.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass383.076 Da
Monoisotopic Mass383.076 Da
Topological Polar Surface Area111.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity542.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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