PD-89211

CAT: 0931-T28349-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T28349-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

444725-49-9

Target

Dopamine Receptor, Others

Related Pathways

Neuroscience, Others, GPCR/G Protein

Bioactivity

PD 89211 is a selective dopamine D4 receptor antagonist with high selectivity for the DA D4.2 receptor (> 800-fold) as compared to other hDA receptor subtypes, rat brain serotonin, and adrenergic receptors. In vitro, PD 89211 reverses quinpirole-induced [3H]thymidine uptake in CHOpro5 cells (IC50 = 2.1 nM) .

Smiles

C(C=1NC=2C(N1)=CC=CC2)N3CCN(CC3)C4=CC(Cl)=C(CO)C=C4

Molecular Formula

C19H21ClN4O

Molecular Weight

356.85

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Benzenemethanol, 4-(4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl)-2-chloro-

CAS Number	444725-49-9
PubChem CID	9863540
IUPAC Name	[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-chlorophenyl]methanol
Molecular Formula	C19H21ClN4O
Molecular Weight	356.8
XLogP	2.7
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	432

SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC(=C(C=C4)CO)Cl

InChI

InChI=1S/C19H21ClN4O/c20-16-11-15(6-5-14(16)13-25)24-9-7-23(8-10-24)12-19-21-17-3-1-2-4-18(17)22-19/h1-6,11,25H,7-10,12-13H2,(H,21,22)

InChIKey

HGMLOQOHAYKVJN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 444725-49-9

CID: 9863540

Formula: C19H21ClN4O

MW: 356.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	356.8
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	356.1403890
Monoisotopic Mass	356.1403890
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5778039	PD-89211
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HY-144447	PD-1/PD-L1-IN-17
HY-169190	PD-1/PD-L1-IN-53
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PD-89211

Chemical Information

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