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1443246-62-5,MFCD27977571
Catalog No.:AA01ENJ9

1443246-62-5 | N-(3,4-Difluorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$19.00   $13.00
- +
5mg
97%
in stock  
$41.00   $29.00
- +
10mg
97%
in stock  
$60.00   $42.00
- +
25mg
97%
in stock  
$102.00   $72.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01ENJ9
Chemical Name:
N-(3,4-Difluorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CAS Number:
1443246-62-5
Molecular Formula:
C17H14F2N4O
Molecular Weight:
328.3161
MDL Number:
MFCD27977571
SMILES:
O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccc(c(c1)F)F
Properties
Computed Properties
 
Complexity:
433  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Kaufmann,Kristian;Romaine,Ian;Days,Emily;Pascual,Conrado;Malik,Adam;Yang,Liya;Zou,Bende;Du,Yu;Sliwoski,Greg;Morrison,RyanD.;Denton,Jerod;Niswender,ColleenM.;Daniels,J.Scott;Sulikowski,GaryA.;Xie,Xinmin;Lindsley,CraigW.;Weaver,C.David[ACSChemicalNeuroscience,2013,vol.4,#9,p.1278-1286]

[2]CurrentPatentAssignee:VANDERBILTUNIVERSITY-US9067894,2015,B1Locationinpatent:Page/Pagecolumn23

1131-18-6   
CASUnavailable 
  1443246-62-5 

[1]Kulkarni,AbhijitR.;Garai,Sumanta;Thakur,GaneshA.[JournalofOrganicChemistry,2017,vol.82,#2,p.992-999]

Literature

Title: ML297 (VU0456810), the first potent and selective activator of the GIRK potassium channel, displays antiepileptic properties in mice.

Journal: ACS chemical neuroscience 20130918

Title: Wen W, et al. Discovery of 'molecular switches' within a GIRK activator scaffold that afford selective GIRK inhibitors. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4562-6.

Title: Kaufmann K, et al. ML297 (VU0456810), the first potent and selective activator of the GIRK potassium channel, displays antiepileptic properties in mice. ACS Chem Neurosci. 2013 Sep 18;4(9):1278-86.

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SDS
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Tags:1443246-62-5 Molecular Formula|1443246-62-5 MDL|1443246-62-5 SMILES|1443246-62-5 N-(3,4-Difluorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
Catalog No.: AA01ENJ9
1443246-62-5,MFCD27977571
1443246-62-5 | N-(3,4-Difluorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
Pack Size： 1mg
Purity： 97%
in stock
$19.00 $13.00
Pack Size： 5mg
Purity： 97%
in stock
$41.00 $29.00
Pack Size： 10mg
Purity： 97%
in stock
$60.00 $42.00
Pack Size： 25mg
Purity： 97%
in stock
$102.00 $72.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01ENJ9
Chemical Name: N-(3,4-Difluorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CAS Number: 1443246-62-5
Molecular Formula: C17H14F2N4O
Molecular Weight: 328.3161
MDL Number: MFCD27977571
SMILES: O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccc(c(c1)F)F
Properties
Complexity: 433  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
1131-18-6    42601-04-7    1443246-62-5 

[1]Kaufmann,Kristian;Romaine,Ian;Days,Emily;Pascual,Conrado;Malik,Adam;Yang,Liya;Zou,Bende;Du,Yu;Sliwoski,Greg;Morrison,RyanD.;Denton,Jerod;Niswender,ColleenM.;Daniels,J.Scott;Sulikowski,GaryA.;Xie,Xinmin;Lindsley,CraigW.;Weaver,C.David[ACSChemicalNeuroscience,2013,vol.4,#9,p.1278-1286]

[2]CurrentPatentAssignee:VANDERBILTUNIVERSITY-US9067894,2015,B1Locationinpatent:Page/Pagecolumn23

1131-18-6   
CASUnavailable 
  1443246-62-5 

[1]Kulkarni,AbhijitR.;Garai,Sumanta;Thakur,GaneshA.[JournalofOrganicChemistry,2017,vol.82,#2,p.992-999]

Literature fold

Title: ML297 (VU0456810), the first potent and selective activator of the GIRK potassium channel, displays antiepileptic properties in mice.

Journal: ACS chemical neuroscience20130918

Title: Wen W, et al. Discovery of 'molecular switches' within a GIRK activator scaffold that afford selective GIRK inhibitors. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4562-6.

Title: Kaufmann K, et al. ML297 (VU0456810), the first potent and selective activator of the GIRK potassium channel, displays antiepileptic properties in mice. ACS Chem Neurosci. 2013 Sep 18;4(9):1278-86.

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