200,000+ products from a single source!
sales@angenechem.com
147920-18-1 | Methanone, [4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl][6-[(methylsulfonyl)oxy]-1H-indol-2-yl]-
CAS No: 147920-18-1 Catalog No: AG001FAQ MDL No:
Product Description
Catalog Number:
AG001FAQ
Chemical Name:
Methanone, [4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl][6-[(methylsulfonyl)oxy]-1H-indol-2-yl]-
CAS Number:
147920-18-1
Molecular Formula:
C22H27N5O4S
Molecular Weight:
457.5459
IUPAC Name:
[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-6-yl] methanesulfonate
InChI:
InChI=1S/C22H27N5O4S/c1-15(2)24-18-5-4-8-23-21(18)26-9-11-27(12-10-26)22(28)20-13-16-6-7-17(14-19(16)25-20)31-32(3,29)30/h4-8,13-15,24-25H,9-12H2,1-3H3
InChI Key:
KOWJSJLFCQAMQC-UHFFFAOYSA-N
SMILES:
CC(Nc1cccnc1N1CCN(CC1)C(=O)c1cc2c([nH]1)cc(cc2)OS(=O)(=O)C)C
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.178g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
457.549g/mol
Monoisotopic Mass:
457.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Bis(heteroaryl)piperazine (BHAP) reverse transcriptase inhibitors: structure-activity relationships of novel substituted indole analogues and the identification of 1-[(5-methanesulfonamido-1H-indol-2-yl)-carbonyl]-4-[3- [(1-methylethyl)amino]-pyridinyl]piperazine monomethanesulfonate (U-90152S), a second-generation clinical candidate. | Journal of medicinal chemistry 19930514 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.