Home Sulfos (S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide

(S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide

CAS No.:
1392116-14-1
Catalog Number:
AG01EONN
Molecular Formula:
C27H27Cl2N5O3S
Molecular Weight:
572.5060
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$207
- +
10mg
98%
1 week
United States
$323
- +
50mg
98%
1 week
United States
$873
- +
100mg
98%
1 week
United States
$1207
- +
Product Description
Catalog Number:
AG01EONN
Chemical Name:
(S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide
CAS Number:
1392116-14-1
Molecular Formula:
C27H27Cl2N5O3S
Molecular Weight:
572.5060
MDL Number:
MFCD30533451
IUPAC Name:
(2S)-2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-3-methylbutanamide
InChI:
InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1
InChI Key:
GTCSIQFTNPTSLO-RPWUZVMVSA-N
SMILES:
Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N\[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl
UNII:
ENZ75DG2Z6
Properties
Complexity:
977  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
571.121g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
572.505g/mol
Monoisotopic Mass:
571.121g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as metabolic disorder therapeutics devoid of CNS liabilities. Bioorganic & medicinal chemistry letters 20121001
Properties