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GSK484

CAS No.:
1652591-81-5
Catalog Number:
AG00ASED
Molecular Formula:
C27H32ClN5O3
Molecular Weight:
510.0277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$133
- +
5mg
98%
1 week
United States
$321
- +
10mg
98%
1 week
United States
$460
- +
25mg
98%
1 week
United States
$876
- +
50mg
98%
1 week
United States
$1432
- +
100mg
98%
1 week
United States
$2418
- +
Product Description
Catalog Number:
AG00ASED
Chemical Name:
GSK484
CAS Number:
1652591-81-5
Molecular Formula:
C27H32ClN5O3
Molecular Weight:
510.0277
MDL Number:
MFCD30343874
IUPAC Name:
[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
InChI:
InChI=1S/C27H31N5O3.ClH/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16;/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3;1H/t19-,23+;/m0./s1
InChI Key:
MULKOGJHUZTANI-ADMBKAPUSA-N
SMILES:
COc1cc(cc2c1n(C)c(n2)c1cc2c(n1CC1CC1)cccc2)C(=O)N1CC[C@H]([C@H](C1)N)O.Cl
Properties
Complexity:
780  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
509.219g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
510.035g/mol
Monoisotopic Mass:
509.219g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nature chemical biology 20150301
Properties