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Home Aminos Acetamide, 2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]-, hydrochloride (1:2)

Acetamide, 2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]-, hydrochloride (1:2)

CAS No.:
1019779-04-4
Catalog Number:
AG00064Z
Molecular Formula:
C20H26Cl2F2N4O
Molecular Weight:
447.3494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
94%
1 week
United States
$173
- +
10mg
94%
1 week
United States
$257
- +
50mg
94%
1 week
United States
$690
- +
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:
MFCD12828767
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
Properties