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

COA COA
In stock
Item Number
N668844
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N668844-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
N668844-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
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View related series
G Protein Related (287)

Basic Description

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 |

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Carboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid amides
Direct Parent 2-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 Framework Aromatic 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
Description This 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

Product Properties

ALogP 5.3

Associated Targets(Human)

ICMT Tchem Protein-S-isoprenylcysteine O-methyltransferase (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
GLA Tclin Alpha-galactosidase A (5444 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Icmt Isoprenylcysteine carboxyl methyltransferase (12 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Npsr1 Neuropeptide S receptor (260 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name N-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]furan-2-carboxamide
INCHI InChI=1S/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
InChIKey MVQYAJKJFLZDIV-UHFFFAOYSA-N
Smiles CC1(CC(CCO1)(CCN(CC2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CC=C4)C
Isomeric SMILES CC1(CC(CCO1)(CCN(CC2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CC=C4)C
PubChem CID 3779715
Molecular Weight 417.5

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 417.500 g/mol
XLogP3 5.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 7
Exact Mass 417.23 Da
Monoisotopic Mass 417.23 Da
Topological Polar Surface Area 42.700 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 579.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
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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