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6,6-Dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile , CAS No.1256577-71-5

COA

Cas Number: 1256577-71-5
Molecular Weight: 454.6
PubChem CID: 57396463

In stock

Item Number

D669273

Grouped product items
SKU	Size	Availability	Price	Qty
D669273-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
D669273-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

View related series

Receptor Tyrosine Kinase (1260)

Basic Description

Synonyms	6,6-Dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile \| 5H-Benzo[b]carbazole-3-carbonitrile, 6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo- \| 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Carbazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Carbazoles
Intermediate Tree Nodes	Not available
Direct Parent	Carbazoles
Alternative Parents	Naphthalenes Indoles Aryl ketones Dialkylarylamines Aminopiperidines Morpholines Vinylogous amides Heteroaromatic compounds Pyrroles Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Carbazole - Naphthalene - Indole - Aryl ketone - Dialkylarylamine - 4-aminopiperidine - Morpholine - Oxazinane - Piperidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Amine - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALK Tclin ALK tyrosine kinase receptor (1 Activities)

Discover Target: ALK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KIT Tclin Stem cell growth factor receptor (10667 Activities)

Discover Target: KIT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALK Tclin ALK tyrosine kinase receptor (7132 Activities)

Discover Target: ALK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver (3974 Activities)

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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	6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
INCHI	InChI=1S/C28H30N4O2/c1-28(2)23-16-20(31-9-7-19(8-10-31)32-11-13-34-14-12-32)4-6-21(23)26(33)25-22-5-3-18(17-29)15-24(22)30-27(25)28/h3-6,15-16,19,30H,7-14H2,1-2H3
InChIKey	OVRQGEYZDUHJNZ-UHFFFAOYSA-N
Smiles	CC1(C2=C(C=CC(=C2)N3CCC(CC3)N4CCOCC4)C(=O)C5=C1NC6=C5C=CC(=C6)C#N)C
Isomeric SMILES	CC1(C2=C(C=CC(=C2)N3CCC(CC3)N4CCOCC4)C(=O)C5=C1NC6=C5C=CC(=C6)C#N)C
PubChem CID	57396463
Molecular Weight	454.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	454.600 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	454.237 Da
Monoisotopic Mass	454.237 Da
Topological Polar Surface Area	72.400 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	822.000
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

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