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PW0729

CAT: 0013-GTR19236361-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236361-01Size:25 mg
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Description
PW0729 (compound 15b) is a GPR52 agonist with signaling bias, investigated as a potential tool compound for neuropsychiatric and neurological disorder research. It has demonstrated activity in both in vitro assays and in vivo preclinical models, though further optimization for brain exposure is ongoing.
CAS Number
2767348-36-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (NCCO) C=1C=CC=C (NC2=NC=CC (=C2) CC3=CC=CC (=C3) C (F) (F) F) C1C
Molecular Formula
C23H22F3N3O2
Molecular Weight
429.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-hydroxyethyl)-2-methyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
CAS Number2767348-36-5
PubChem CID164735208
IUPAC NameN-(2-hydroxyethyl)-2-methyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
Molecular FormulaC23H22F3N3O2
Molecular Weight429.4
XLogP4.5
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity575
SMILES
CC1=C(C=CC=C1NC2=NC=CC(=C2)CC3=CC(=CC=C3)C(F)(F)F)C(=O)NCCO
InChI
InChI=1S/C23H22F3N3O2/c1-15-19(22(31)28-10-11-30)6-3-7-20(15)29-21-14-17(8-9-27-21)12-16-4-2-5-18(13-16)23(24,25)26/h2-9,13-14,30H,10-12H2,1H3,(H,27,29)(H,28,31)
InChIKey
SXAOESAPPDWTLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-hydroxyethyl)-2-methyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
CAS: 2767348-36-5
CID: 164735208
Formula: C23H22F3N3O2
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass429.16641144
Monoisotopic Mass429.16641144
Topological Polar Surface Area74.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity575
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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