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4′-(Imidazol-1-yl)acetophenone - 96%, high purity , CAS No.10041-06-2

    Grade & Purity:
  • ≥96%
In stock
Item Number
I165364
Grouped product items
SKU Size
Availability
Price Qty
I165364-1g
1g
2
$19.90
I165364-5g
5g
9
$73.90
I165364-25g
25g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$332.90
View related series
Lipid metabolism (1912)

Basic Description

Synonyms 1-(4-(1H-Imidazol-1-yl)phenyl)ethanone | 10A-004 | Ambroxol theophyllinacetate | 4'-(imidazol-1-yl) acetophenone | EINECS 233-123-5 | IMIDAZOLACETOPHENONE | 1-(4-(1H-imidazol-1-yl)phenyl)ethan-1-one | SCHEMBL611481 | US9144538, 4'-(Imidazol-1yl) acetophen
Specifications & Purity ≥96%
Storage Temp Room temperature
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct Parent Alkyl-phenylketones
Alternative Parents Phenylimidazoles  Acetophenones  Benzoyl derivatives  Aryl alkyl ketones  N-substituted imidazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Alkyl-phenylketone - 1-phenylimidazole - Acetophenone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 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

Pubchem Sid 488186083
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186083
IUPAC Name 1-(4-imidazol-1-ylphenyl)ethanone
INCHI InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3
InChIKey GAIQQJIMVVUTQN-UHFFFAOYSA-N
Smiles CC(=O)C1=CC=C(C=C1)N2C=CN=C2
Isomeric SMILES CC(=O)C1=CC=C(C=C1)N2C=CN=C2
WGK Germany 3
NSC Number C11H10N2O
Molecular Weight 186.21
Reaxy-Rn 608955
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608955&ln=

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

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

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
I2130297 Certificate of Analysis Jul 12, 2024 I165364
I2130298 Certificate of Analysis Jul 12, 2024 I165364
I2130299 Certificate of Analysis Jul 12, 2024 I165364
D2315725 Certificate of Analysis May 13, 2021 I165364

Chemical and Physical Properties

Melt Point(°C) 108-110℃(lit.)
Molecular Weight 186.210 g/mol
XLogP3 1.400
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 186.079 Da
Monoisotopic Mass 186.079 Da
Topological Polar Surface Area 34.900 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 209.000
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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