VK4-116

CAT: 0013-GTR19274879-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19274879-02Size:50 mg

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Description

VK4-116 (Compound 19) is a selective dopamine D3 receptor (D3R) antagonist with a Ki of 6.84 nM. It significantly inhibits oxycodone-induced hyperactivity and locomotor sensitization in mouse models. Additionally, VK4-116 pretreatment suppresses the acquisition of oxycodone-induced conditioned place preference (CPP) in rat models.

CAS Number

1982347-43-2

Smiles

O=C (NCCC (O) CN1CCN (C2=CC (=CC (Cl) =C2OC) CC) CC1) C3=CC=4C=CC=CC4N3

Molecular Formula

C26H33ClN4O3

Molecular Weight

485.03

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

CID 130431318

CAS Number	1982347-43-2
PubChem CID	130431318
IUPAC Name	N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
Molecular Formula	C26H33ClN4O3
Molecular Weight	485.0
XLogP	4.4
Topological Polar Surface Area	80.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	34
Formal Charge	0
Complexity	648

SMILES

CCC1=CC(=C(C(=C1)Cl)OC)N2CCN(CC2)CC(CCNC(=O)C3=CC4=CC=CC=C4N3)O

InChI

InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)

InChIKey

NRSBRNRWCATXOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1982347-43-2

CID: 130431318

Formula: C26H33ClN4O3

MW: 485.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	485.0
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	484.2241186
Monoisotopic Mass	484.2241186
Topological Polar Surface Area	80.8 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	648
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-123889	VK4-116
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BUP09184-01	FC-116
M34102-01	116-9e
HY-175592-01	HEAL-116
HY-163723	EGFR-IN-116
HY-168531-01	EMU-116

VK4-116

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