N-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]furan-2-carboxamide , CAS No.303728-92-9

CAS: 303728-92-9 Cat. No.: N668844 Peso molecular: 417.5 PubChem CID: 3779715
Disponible para pedir
Synonyms
N-Benzyl-N-(2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl)furan-2-carboxamide | N-benzyl-N-[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]furan-2-carboxamide | CBMicro_021702 | Oprea1_174909 | Oprea1_531074 | MLS000587100 | HMS2591D22 |
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
N668844-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
N668844-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

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Literature proof

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

Specifications

Sinónimos
N-Benzyl-N-(2-(2, 2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl)furan-2-carboxamide | N-benzyl-N-[2-(2, 2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]furan-2-carboxamide | CBMicro_021702 | Oprea1_174909 | Oprea1_531074 | MLS000587100 | HMS2591D22 |
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
INHIBITOR
Propiedades del producto
ALogP5.3
Nombres e identificadores
Sonrisas canónicasCC1(CC(CCO1)(CCN(CC2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CC=C4)C
IUPAC NameN-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]furan-2-carboxamide
InChIKeyMVQYAJKJFLZDIV-UHFFFAOYSA-N
INCHI1S/C27H31NO3/c1-26(2)21-27(16-19-31-26,23-12-7-4-8-13-23)15-17-28(20-22-10-5-3-6-11-22)25(29)24-14-9-18-30-24/h3-14,18H,15-17,19-21H2,1-2H3
Isómeros SMILES CC1(CC(CCO1)(CCN(CC2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CC=C4)C
PubChem CID 3779715
Peso molecular 417.5

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
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid amides
Direct Parent2-heteroaryl carboxamides
Alternative Parents Furoic acid and derivatives  Oxanes  Benzene and substituted derivatives  Tertiary carboxylic acid amides  Heteroaromatic compounds  Oxacyclic compounds  Dialkyl ethers  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-heteroaryl carboxamide - Furoic acid or derivatives - Monocyclic benzene moiety - Oxane - Benzenoid - Furan - Tertiary carboxylic acid amide - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ICMT Tchem Protein-S-isoprenylcysteine O-methyltransferase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GLA Tclin Alpha-galactosidase A (5444 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Icmt Isoprenylcysteine carboxyl methyltransferase (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npsr1 Neuropeptide S receptor (260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular417.500 g/mol
XLogP35.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass417.23 Da
Monoisotopic Mass417.23 Da
Topological Polar Surface Area42.700 Ų
Heavy Atom Count31
Formal Charge0
Complexity579.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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