200,000+ products from a single source!
sales@angenechem.com
1415800-43-9 | Methanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]-
CAS No: 1415800-43-9 Catalog No: AG001GLU MDL No:MFCD22683289
Product Description
Catalog Number:
AG001GLU
Chemical Name:
Methanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]-
CAS Number:
1415800-43-9
Molecular Formula:
C32H43N5O2
Molecular Weight:
529.7161
MDL Number:
MFCD22683289
IUPAC Name:
[3-anilino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
InChI:
InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
InChI Key:
PQOOIERVZAXHBP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.342g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
529.729g/mol
Monoisotopic Mass:
529.342g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain. | Nature chemical biology 20130301 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.