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PW0787

CAT: 1410-M28695-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M28695-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PW0787 is a potent, selective, orally active, and brain-penetrant GPR52 agonist (EC50=135 nM) .
CAS Number
2624131-45-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
460.433
Molecular Formula
C23H20F4N4O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

1-(6-(3-fluoro-5-(trifluoromethyl)benzyl)pyrimidin-4-yl)-N-(2-hydroxyethyl)indoline-4-carboxamide
CAS Number2624131-45-7
PubChem CID155977949
IUPAC Name1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
Molecular FormulaC23H20F4N4O2
Molecular Weight460.4
XLogP3.8
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity667
SMILES
C1CN(C2=CC=CC(=C21)C(=O)NCCO)C3=NC=NC(=C3)CC4=CC(=CC(=C4)F)C(F)(F)F
InChI
InChI=1S/C23H20F4N4O2/c24-16-9-14(8-15(11-16)23(25,26)27)10-17-12-21(30-13-29-17)31-6-4-18-19(2-1-3-20(18)31)22(33)28-5-7-32/h1-3,8-9,11-13,32H,4-7,10H2,(H,28,33)
InChIKey
OLNVWBLTVAPNME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-(3-fluoro-5-(trifluoromethyl)benzyl)pyrimidin-4-yl)-N-(2-hydroxyethyl)indoline-4-carboxamide
CAS: 2624131-45-7
CID: 155977949
Formula: C23H20F4N4O2
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass460.15223854
Monoisotopic Mass460.15223854
Topological Polar Surface Area78.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity667
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

Alternative Products

CatalogName
MBS3617217-01PW0787

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