1-Benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine - CAS 1001414-09-0
Catalog: |
BB000102 |
Product Name: |
1-Benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine |
CAS: |
1001414-09-0 |
Synonyms: |
1-(benzenesulfonyl)-5-chloro-3-iodopyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-(benzenesulfonyl)-5-chloro-3-iodopyrrolo[2,3-b]pyridine |
Description: | 1-Benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine (CAS# 1001414-09-0) is used as a reactant in the synthesis of pyrrolo[2,3-b]pyridine compounds as kinase modulators. |
Molecular Weight: | 418.64 |
Molecular Formula: | C13H8ClIN2O2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC(=CN=C32)Cl)I |
InChI: | InChI=1S/C13H8ClIN2O2S/c14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10/h1-8H |
InChI Key: | VZXZRNATZJUUQW-UHFFFAOYSA-N |
Purity: | 95 % |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD08741538 |
LogP: | 4.61210 |
Publication Number | Title | Priority Date |
AU-2011242778-A1 | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
AU-2011242778-B2 | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
CA-2796998-A1 | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
CN-102947305-A | Compounds and methods for kinase modulation, and indications therefor | 20100421 |
EA-028105-B1 | CONNECTIONS AND METHODS FOR MODELING KINAZES AND INDICATIONS FOR THEIR APPLICATION | 20100421 |
Complexity: | 450 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 417.90397 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 417.90397 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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