SCH 546738 - Moligand™, ≥98% , CAS No.906805-42-3

CAS: 906805-42-3 Cat. No.: S649861 Fórmula: C23H31Cl2N7O Peso molecular: 492.46 PubChem CID: 11995774
Disponível para encomenda
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. ≥98%
Synonyms
HY-10017 | AKOS016005318 | 3-Amino-6-chloro-5-((3S)-4-(1-((4-chlorophenyl)methyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-carboxamide | SCHEMBL12910889 | SCH 546738 | UNII-RKR7RH5HBE | 3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidi
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Alemanha (EU)
USA*
Price
Qty
1mg
S649861-1mg
Sob encomenda · 8–12 semanas

112,72€

169,12€
Gravar 56,40 € (33.35%)
5mg
S649861-5mg
Sob encomenda · 8–12 semanas
381,72€
25mg
S649861-25mg
Sob encomenda · 8–12 semanas
1127,97€
100mg
S649861-100mg
Sob encomenda · 8–12 semanas
2429,58€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% 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

Sinónimos
HY-10017 | AKOS016005318 | 3-Amino-6-chloro-5-((3S)-4-(1-((4-chlorophenyl)methyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-carboxamide | SCHEMBL12910889 | SCH 546738 | UNII-RKR7RH5HBE | 3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidi
Especificações e pureza
Moligand™, ≥98%
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Grau
Moligand™
Tipo de ação
ANTAGONIST
Pureza
≥98%
Nomes e identificadores
Sorrisos canónicosCCC1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=NC(=C(N=C4Cl)C(=O)N)N
IUPAC Name3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carboxamide
InChIKeyUYDYJFWSPRQEAX-KRWDZBQOSA-N
INCHI1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1
SMILES isoméricas CC[C@H]1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=NC(=C(N=C4Cl)C(=O)N)N
PubChem CID 11995774
Peso molecular 492.46

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
ClassePiperidines
SubclassBenzylpiperidines
Intermediate Tree Nodes Not available
Direct ParentN-benzylpiperidines
Alternative Parents N-arylpiperazines  Pyrazinecarboxamides  2-heteroaryl carboxamides  Phenylmethylamines  Benzylamines  Dialkylarylamines  Aminopiperidines  Aminopyrazines  Aralkylamines  Chlorobenzenes  N-alkylpiperazines  Aryl chlorides  Imidolactams  Heteroaromatic compounds  Vinylogous amides  Primary carboxylic acid amides  Trialkylamines  Amino acids and derivatives  Azacyclic compounds  Organic oxides  Organochlorides  Organooxygen compounds  Primary amines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-benzylpiperidine - N-arylpiperazine - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Benzylamine - Dialkylarylamine - Phenylmethylamine - Halobenzene - 4-aminopiperidine - Aminopyrazine - Chlorobenzene - Aralkylamine - N-alkylpiperazine - Aryl chloride - 1,4-diazinane - Aryl halide - Piperazine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazine - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
CXCR3 Tchem C-X-C chemokine receptor type 3 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCR3 Tchem C-X-C chemokine receptor type 3 (2736 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeDMSO : 4.5 mg/mL (9.14 mM; Need ultrasonic) H2O : 1 mg/mL (2.03 mM; ultrasonic and warming and heat to 80°C)
Peso molecular492.400 g/mol
XLogP34.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass491.197 Da
Monoisotopic Mass491.197 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity642.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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