NS 3623 - Moligand™, ≥98% , Activator of K v11.1, CAS No.343630-41-1, Activator of K v11.1

CAS: 343630-41-1 Cat. No.: N286781 Formula: C₁₅H₁₀BrF₃N₆O Molecular Weight: 427.18 PubChem CID: 9954236

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-108586 | Q27088060 | N-(4-bromo-2-(1h-tetrazol-5-yl)-phenyl)-N'-(3'-trifluoromethylphenyl) urea | F76482 | J9HB2T5SS4 | NS 3623 | Urea, N-(4-bromo-2-(1H-tetrazol-5-yl)phenyl)-N'-(3-(trifluoromethyl)phenyl)- | EX-A5263 | BS-52711 | N-[4-Bromo-2-(1H-tetr

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

HY-108586 | Q27088060 | N-(4-bromo-2-(1h-tetrazol-5-yl)-phenyl)-N'-(3'-trifluoromethylphenyl) urea | F76482 | J9HB2T5SS4 | NS 3623 | Urea, N-(4-bromo-2-(1H-tetrazol-5-yl)phenyl)-N'-(3-(trifluoromethyl)phenyl)- | EX-A5263 | BS-52711 | N-[4-Bromo-2-(1H-tetr

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

KV11.1 (hERG) and KV4.3 channel activator. Activate IKrandItocurrents and display anti-arrhythmic activities. It can also act as a partial blocker of the KV11.1 channel. Shows the selectivity to key cardiac potassium channels KV7.1 (KCNQ1) and KV1.5.

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of K v11.1

Purity

≥98%

Names and Identifiers

Pubchem Sid

504765150

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765150

Canonical Smiles

C1=CC(=CC(=C1)NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3)C(F)(F)F

IUPAC Name

1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

InChIKey

JXPULDIATMTIIN-UHFFFAOYSA-N

INCHI

1S/C15H10BrF3N6O/c16-9-4-5-12(11(7-9)13-22-24-25-23-13)21-14(26)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H2,20,21,26)(H,22,23,24,25)

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3)C(F)(F)F

PubChem CID

9954236

Molecular Weight

427.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Trifluoromethylbenzenes N-phenylureas Bromobenzenes Aryl bromides Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Trifluoromethylbenzene - N-phenylurea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Urea - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 42.72, Max Conc. mM: 100
• Sensitivity: light sensitive
• Molecular Weight: 427.180 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 426.005 Da
• Monoisotopic Mass: 426.005 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 496.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 343630-41-1, the molecular formula is C15H10BrF3N6O, and the molecular weight is 427.18 g/mol. InChIKey JXPULDIATMTIIN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.