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NS 11394 - Moligand™,≥99% , CAS No.951650-22-9

CAS: 951650-22-9 Cat. No.: N413620 Molecular Weight: 353.42
COA
NS 11394 - Moligand™,≥99% CAS No(951650-22-9) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
BCP9000995 | DTXSID60587781 | 2-[3-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile | 3'-[5-(1-HYDROXY-1-METHYL-ETHYL)-BENZOIMIDAZOL-1-YL]-BIPHENYL-2-CARBONITRILE | HY-11048 | BCP23679 | 1PTH9FK74J | NS11394 | NS-11394 | 3'-(5-(2-Hydroxyprop
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
N413620-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
5mg
N413620-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$37.90
25mg
N413620-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$132.90
100mg
N413620-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$379.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
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
🧪

Why this grade

Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

📚

Literature proof

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

Specifications

Synonyms
BCP9000995 | DTXSID60587781 | 2-[3-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile | 3'-[5-(1-HYDROXY-1-METHYL-ETHYL)-BENZOIMIDAZOL-1-YL]-BIPHENYL-2-CARBONITRILE | HY-11048 | BCP23679 | 1PTH9FK74J | NS11394 | NS-11394 | 3'-(5-(2-Hydroxyprop
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
NS11394 is a unique subtype-selective GABAA positive allosteric receptor (PAM), with a Ki of ~0.5 nM. NS11394 shows a selectivity profile in the order of GABAA-5 > α3 > α2 > α1-containing receptors. NS11394 has anxiolytic and anti-inflammatory properties.
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.
Grade
Moligand™
Action Type
MODULATOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(C)(C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)O
IUPAC Name2-[3-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile
InChIKeyHLKYSQGBIIIQJN-UHFFFAOYSA-N
INCHI1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3
Isomeric SMILES CC(C)(C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)O
Molecular Weight 353.42
Reaxy-Rn 12988494
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12988494&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
SuperclassOrganoheterocyclic compounds
ClassBenzimidazoles
SubclassPhenylbenzimidazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzimidazoles
Alternative Parents Biphenylcarbonitriles  Phenylimidazoles  Benzonitriles  N-substituted imidazoles  Tertiary alcohols  Heteroaromatic compounds  Nitriles  Azacyclic compounds  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylbenzimidazole - Biphenylcarbonitrile - Biphenyl - 1-phenylimidazole - Benzonitrile - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary alcohol - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA5 Tclin GABA receptor alpha-5 subunit (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA3 Tclin GABA receptor alpha-3 subunit (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA2 Tclin GABA receptor alpha-2 subunit (271 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-3/beta-3/gamma-2 (1250 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA1 Tclin GABA-A receptor; alpha-1/beta-3/gamma-2 (1565 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-5/beta-3/gamma-2 (1334 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Rattus norvegicus (775804 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
SolubilitySolubility (25°C) In vitro DMSO: 71 mg/mL (200.89 mM); Ethanol: 71 mg/mL (200.89 mM); Water: Insoluble;
Molecular Weight353.400 g/mol
XLogP34.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass353.153 Da
Monoisotopic Mass353.153 Da
Topological Polar Surface Area61.800 Ų
Heavy Atom Count27
Formal Charge0
Complexity567.000
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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