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NS-1619

CAT: 0931-T3102-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T3102-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153587-01-0
Target
Apoptosis, Potassium Channel
Related Pathways
Apoptosis, Membrane transporter/Ion channel
Purity
0.9828
Bioactivity
NS1619 have cardio-protective effects after ischemia-reperfusion injury.
Smiles
Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F
Molecular Formula
C15H8F6N2O2
Molecular Weight
362.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-benzimidazol-2-one

NS 1619 is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca). It has a role as a potassium channel opener. It is a member of benzimidazoles, a member of phenols and a member of (trifluoromethyl)benzenes.

CAS Number153587-01-0
PubChem CID4552
IUPAC Name3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
Molecular FormulaC15H8F6N2O2
Molecular Weight362.23
XLogP3.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity523
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
InChIKey
YLFMCMWKHSDUCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-benzimidazol-2-one
CAS: 153587-01-0
CID: 4552
Formula: C15H8F6N2O2
MW: 362.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight362.23
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass362.04899647
Monoisotopic Mass362.04899647
Topological Polar Surface Area52.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes