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ONO-TR-772

CAT: 0013-GTR19258018-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258018-01Size:50 mg
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Description
ONO-TR-772 (VU6018042) is a selective TREK inhibitor with an IC50 of 15 nM. It improves recognition memory in the NOR mouse model induced by MK-801. ONO-TR-772 is useful in research on diseases associated with cognitive impairment.
CAS Number
2640847-32-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) NC1=CC=C (Cl) C (=C1) C (=O) NC2=NC=C (C#CC3=CC=C (F) C=C3) C=C2C
Molecular Formula
C26H23ClFN3O3
Molecular Weight
479.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ono-TR-772
CAS Number2640847-32-9
PubChem CID156308153
IUPAC Nametert-butyl N-[4-chloro-3-[[5-[2-(4-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]carbamoyl]phenyl]carbamate
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.9
XLogP5.7
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity781
SMILES
CC1=CC(=CN=C1NC(=O)C2=C(C=CC(=C2)NC(=O)OC(C)(C)C)Cl)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C26H23ClFN3O3/c1-16-13-18(6-5-17-7-9-19(28)10-8-17)15-29-23(16)31-24(32)21-14-20(11-12-22(21)27)30-25(33)34-26(2,3)4/h7-15H,1-4H3,(H,30,33)(H,29,31,32)
InChIKey
DFSZNGQSGYXXNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ono-TR-772
CAS: 2640847-32-9
CID: 156308153
Formula: C26H23ClFN3O3
MW: 479.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.9
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass479.1411975
Monoisotopic Mass479.1411975
Topological Polar Surface Area80.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity781
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

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