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Home Other Building Blocks 1-[3-(4-Bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

1-[3-(4-Bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

CAS No.:
839713-36-9
Catalog Number:
AG00G3SM
Molecular Formula:
C18H15BrF2N4O2
Molecular Weight:
437.2381
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$196
- +
10mg
99%
1 week
United States
$265
- +
25mg
99%
1 week
United States
$404
- +
50mg
99%
1 week
United States
$682
- +
100mg
99%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG00G3SM
Chemical Name:
1-[3-(4-Bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
CAS Number:
839713-36-9
Molecular Formula:
C18H15BrF2N4O2
Molecular Weight:
437.2381
MDL Number:
MFCD16619341
IUPAC Name:
1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
InChI:
InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)
InChI Key:
COSPVUFTLGQDQL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1c(Br)cnn1C)NC(=O)Nc1ccc(cc1F)F
UNII:
4ZA73QEW2P
Properties
Complexity:
518  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.035g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
437.245g/mol
Monoisotopic Mass:
436.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Serotonin control of sleep-wake behavior. Sleep medicine reviews 20110801
Synthesis and in vivo evaluation of phenethylpiperazine amides: selective 5-hydroxytryptamine(2A) receptor antagonists for the treatment of insomnia. Journal of medicinal chemistry 20100812
Discovery of 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (nelotanserin) and related 5-hydroxytryptamine2A inverse agonists for the treatment of insomnia. Journal of medicinal chemistry 20100311
Nelotanserin, a novel selective human 5-hydroxytryptamine2A inverse agonist for the treatment of insomnia. The Journal of pharmacology and experimental therapeutics 20100101
Properties