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1019779-04-4 | Acetamide, 2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]-, hydrochloride (1:2)
CAS No: 1019779-04-4 Catalog No: AG00064Z MDL No:MFCD22689439
Product Description
Catalog Number:
AG00064Z
Chemical Name:
Acetamide, 2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]-, hydrochloride (1:2)
CAS Number:
1019779-04-4
Molecular Formula:
C20H26Cl2F2N4O
Molecular Weight:
447.3494
MDL Number:
MFCD22689439
IUPAC Name:
2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide;trihydrochloride
InChI:
InChI=1S/C20H24F2N4O.3ClH/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16;;;/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27);3*1H
InChI Key:
WSBRAHWNJBXXJM-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(ccc1C)CN1CCNCC1)CNc1ccc(c(c1)F)F.Cl.Cl
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.122g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
483.81g/mol
Monoisotopic Mass:
482.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Mechanism of action of species-selective P2X(7) receptor antagonists. | British journal of pharmacology 20090401 |
| Identification of regions of the P2X(7) receptor that contribute to human and rat species differences in antagonist effects. | British journal of pharmacology 20081101 |
| Negative and positive allosteric modulators of the P2X(7) receptor. | British journal of pharmacology 20080201 |
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