Determine the necessary mass, volume, or concentration for preparing a solution.
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
CCT241736 is a potent and orally bioavailable dual inhibitor of FLT3 and Aurora kinase with Kd of 7.5 nM, 48 nM, 6.2 nM, 38 nM and 14 nM for Aurora-A, Aurora-B, FLT3 kinase, FLT3-ITD and FLT3(D835Y), respectively. CCT241736 inhibits Aurora-A with IC50 of 38 nM.
| Canonical Smiles | CC1=NN(C=C1C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CC=C(C=C5)Cl)Cl)C |
|---|---|
| IUPAC Name | 6-chloro-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine |
| InChIKey | AKJBLKUZXRMECW-UHFFFAOYSA-N |
| INCHI | 1S/C22H23Cl2N7/c1-14-17(13-29(2)28-14)21-26-19-20(18(24)11-25-22(19)27-21)31-9-7-30(8-10-31)12-15-3-5-16(23)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,26,27) |
| Isomeric SMILES | CC1=NN(C=C1C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CC=C(C=C5)Cl)Cl)C |
| Molecular Weight | 456.4 |
| Reaxy-Rn | 61754317 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61754317&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Imidazopyridines Benzylamines Dialkylarylamines Phenylmethylamines N-alkylpiperazines Aralkylamines Chlorobenzenes Aminopyridines and derivatives Aryl chlorides Imidazoles Heteroaromatic compounds Pyrazoles Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Imidazopyridine - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Chlorobenzene - Halobenzene - Aminopyridine - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyridine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Pyrazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
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| Molecular Weight | 456.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 455.139 Da |
| Monoisotopic Mass | 455.139 Da |
| Topological Polar Surface Area | 65.900 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 596.000 |
| 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 |