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NS004 - Moligand™ , Activator of CFTR;Activator of K Ca1.1;Activator of K Ca5.1, CAS No.141797-92-4, Activator of CFTR;Activator of K Ca1.1;Activator of K Ca5.1

NS004 - Moligand™ , Activator of CFTR;Activator of K Ca1.1;Activator of K Ca5.1, CAS No.141797-92-4, Activator of CFTR;Activator of K Ca1.1;Activator of K Ca5.1

Name: NS004 - Moligand™ , Activator of CFTR;Activator of K Ca1.1;Activator of K Ca5.1, CAS No.141797-92-4, Activator of CFTR;Activator of K Ca1.1;Activator of K Ca5.1
Brand: Aladdin Scientific
SKU: N612397
Availability: InStock

CAS: 141797-92-4 Cat. No.: N612397 PubChem CID: 5311330

COA

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ?

Synonyms

NS 004;NS-004;NS-O04

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

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

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Literature proof

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

Specifications

Synonyms

NS 004;NS-004;NS-O04

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of CFTR;Activator of K Ca1.1;Activator of K Ca5.1

Names and Identifiers

Canonical Smiles	C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)Cl)O
IUPAC Name	3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
InChIKey	WYLYBVMNGZOYOH-UHFFFAOYSA-N
INCHI	1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)
Isomeric SMILES	C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)Cl)O
PubChem CID	5311330
MeSH Entry Terms	1-(5-chloro-2-hydroxyphenyl)-5-trifluoromethyl-1,3-dihydro-2-benzimidazol-2-one;NS 004;NS-004

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles
    - Subclass Phenylbenzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Phenylbenzimidazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbenzimidazoles
Alternative Parents	Phenylimidazoles P-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylbenzimidazole - 1-phenylimidazole - 4-halophenol - 4-chlorophenol - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Urea - Azacycle - Organooxygen compound - Alkyl fluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

CFTR Tclin Cystic fibrosis transmembrane conductance regulator (0 Activities)

Discover Target: CFTR

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

KCNU1 Tbio Potassium channel subfamily U member 1 (0 Activities)

Discover Target: KCNU1

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

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (0 Activities)

Discover Target: KCNMA1

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

KCND3 Tclin Voltage-gated potassium channel subunit Kv4.3 (100 Activities)

Discover Target: KCND3

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

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (435 Activities)

Discover Target: KCNMA1

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

Associated Targets(non-human)

Xenopus laevis (337 Activities)

Explore this target

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

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Molecular Weight	328.670 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	328.023 Da
Monoisotopic Mass	328.023 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	448.000
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

Solution Calculators

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Reviews

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