3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole - CAS 882562-40-5
Catalog: |
BB038799 |
Product Name: |
3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole |
CAS: |
882562-40-5 |
Synonyms: |
1-(benzenesulfonyl)-3-(2,5-dichloro-4-pyrimidinyl)indole; 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole |
IUPAC Name: | 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole |
Description: | 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole can be used to synthesize CDK or JNK inhibitors. |
Molecular Weight: | 404.27 |
Molecular Formula: | C18H11Cl2N3O2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=NC(=NC=C4Cl)Cl |
InChI: | InChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H |
InChI Key: | ZSDGZYGEBQECGY-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD17392847 |
LogP: | 5.72290 |
Publication Number | Title | Priority Date |
WO-2021138392-A1 | Aminopyrimidine compounds | 20191230 |
CN-112574255-A | Organic arsine-based CDK inhibitor and preparation method and application thereof | 20190927 |
WO-2021057867-A1 | Class of cdk inhibitor based on organic arsine, preparation method and application thereof | 20190927 |
WO-2020219650-A1 | Degraders of cyclin-dependent kinase 12 (cdk12) and uses thereof | 20190423 |
AU-2017363307-A1 | Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof | 20161122 |
Complexity: | 594 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 402.9949032 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 402.9949032 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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