GRADE & PURITY Moligand™, ≥98%

Synonyms

Tox21_501144 | F87660 | LP01144 | SCHEMBL107116 | FAUC213 | FAUC-213 | DTXSID40187460 | NCGC00165795-02 | AKOS040745787 | FAUC 213, >=98% (HPLC), solid | SDCCGSBI-0633796.P001 | HY-14327 | NCGC00165795-04 | G8F040299R | J-019326 | CCG-222448 | 4-(4-Chloro

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

FAUC 213 is a highly selective D4 dopamine receptor full antagonist.

Specifications

Synonyms

Tox21_501144 | F87660 | LP01144 | SCHEMBL107116 | FAUC213 | FAUC-213 | DTXSID40187460 | NCGC00165795-02 | AKOS040745787 | FAUC 213, >=98% (HPLC), solid | SDCCGSBI-0633796.P001 | HY-14327 | NCGC00165795-04 | G8F040299R | J-019326 | CCG-222448 | 4-(4-Chloro

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST, ANTAGONIST

Mechanism of action

Agonist of D 4 receptor;Antagonist of D 4 receptor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765405
• Canonical Smiles: C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=CC=C(C=C4)Cl
• IUPAC Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
• InChIKey: DTRXURJDKOYCCD-UHFFFAOYSA-N
• INCHI: 1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
• Isomeric SMILES: C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=CC=C(C=C4)Cl
• Molecular Weight: 326.82
• Reaxy-Rn: 8852898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8852898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Pyrazolopyridines Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Chlorobenzenes Aralkylamines Pyridines and derivatives Aryl chlorides Pyrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Pyrazolopyridine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Pyridine - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

DRD4 Tchem D(4) dopamine receptor (10 Activities)

Discover Target: DRD4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD3 Tclin D(3) dopamine receptor (2 Activities)

Discover Target: DRD3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD4 Tchem Dopamine D4 receptor (7907 Activities)

Discover Target: DRD4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD2 Tclin Dopamine receptors; D2 & D3 (635 Activities)

Discover Target: DRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD2 Tclin Dopamine receptors; D2 & D4 (375 Activities)

Discover Target: DRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO: ~24 mg/mL with warming up to 60° C: water: insoluble
• Molecular Weight: 326.800 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 326.13 Da
• Monoisotopic Mass: 326.13 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 377.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1