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1H-Inden-1-one, 2-(4-((dimethylamino)phenyl)methylene)-2,3-dihydro- , CAS No.5706-20-7

COA COA
In stock
Item Number
H668931
Grouped product items
SKU Size
Availability
 Price Qty
H668931-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
H668931-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms N7ZE9B5HYB | 2-(4-(Dimethylamino)benzylidene)-1-indanone | NSC-86428 | NSC636711 | 1H-Inden-1-one, 2-((4-(dimethylamino)phenyl)methylene)-2,3-dihydro- | 2-[4-(Dimethylamino)benzylidene]-1-indanone | (2E)-2-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-2,3-DIHYDR

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Indanes
Subclass Indanones
Intermediate Tree Nodes Not available
Direct Parent Indanones
Alternative Parents Dialkylarylamines  Aryl ketones  Aniline and substituted anilines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homopolycyclic compounds
Substituents Indanone - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Ketone - Tertiary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors Not available

Product Properties

ALogP 3.9

Associated Targets(Human)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCRF-CEM (65223 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MOLT-4 (49676 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
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

L1210 (27553 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
P388 (20296 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 (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one
INCHI InChI=1S/C18H17NO/c1-19(2)16-9-7-13(8-10-16)11-15-12-14-5-3-4-6-17(14)18(15)20/h3-11H,12H2,1-2H3/b15-11+
InChIKey YCKZAOPKIOWTEH-RVDMUPIBSA-N
Smiles CN(C)C1=CC=C(C=C1)C=C2CC3=CC=CC=C3C2=O
Isomeric SMILES CN(C)C1=CC=C(C=C1)/C=C/2\CC3=CC=CC=C3C2=O
Molecular Weight 263.3
Reaxy-Rn 2941386
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941386&ln=

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

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

Chemical and Physical Properties

Molecular Weight 263.300 g/mol
XLogP3 3.900
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 263.131 Da
Monoisotopic Mass 263.131 Da
Topological Polar Surface Area 20.300 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 390.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

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