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PD 168568

CAT: 0013-GTR19212306-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212306-02Size:50 mg
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Description
PD 168568 is a selective, orally bioavailable dopamine D4 receptor antagonist with an isoindolinone core, exhibiting high affinity for DRD4 (Ki = 8.8 nM) over D2 and D3 receptors. It is used as a research tool in neuropharmacology and oncology, particularly for investigating DRD4 signaling in glioblastoma models in vitro and in vivo.
CAS Number
210688-56-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CN1CCN (CC1) C2=CC (C) =C (C) C=C2) C3C=4C (C (=O) N3) =CC=CC4
Molecular Formula
C22H27N3O
Molecular Weight
349.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PD 168568 Dihydrochloride
CAS Number210688-56-5
PubChem CID56972231
IUPAC Name3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one;dihydrochloride
Molecular FormulaC22H29Cl2N3O
Molecular Weight422.4
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity488
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CCC3C4=CC=CC=C4C(=O)N3)C.Cl.Cl
InChI
InChI=1S/C22H27N3O.2ClH/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21;;/h3-8,15,21H,9-14H2,1-2H3,(H,23,26);2*1H
InChIKey
RMNWLEGGYCVHFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD 168568 Dihydrochloride
CAS: 210688-56-5
CID: 56972231
Formula: C22H29Cl2N3O
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass421.1687679
Monoisotopic Mass421.1687679
Topological Polar Surface Area35.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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