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Befiradol - ≥95%, high purity , Serotonin 1a (5-HT1a) receptor agonist, CAS No.208110-64-9, Serotonin 1a (5-HT1a) receptor agonist

COA

Grade & Purity:

≥95%

Cas Number: 208110-64-9
Molecular Weight: 393.86
PubChem CID: 9865384

In stock

Item Number

B646611

Grouped product items
SKU	Size	Availability	Price
B646611-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
B646611-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90
B646611-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$380.90
B646611-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$610.90

View related series

5-HT Receptor (264) Class A GPCR (4138) GPCR/G Protein (3172) Neuronal Signaling (3320)

Basic Description

Synonyms	(3-chloro-4-fluorophenyl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone \| RAT9OHA1YH \| Befiradol \| HY-14785 \| AKOS032954037 \| GTPL3925 \| SCHEMBL678174 \| BCP31302 \| NLX-112 \| (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methy
Specifications & Purity	≥95%
Biochemical and Physiological Mechanisms	Befiradol (NLX-112) is a selective 5-HT1A receptor agonist.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	AGONIST
Mechanism of action	Serotonin 1a (5-HT1a) receptor agonist
Product Description	Befiradol (NLX-112) is a selective 5-HT1A receptor agonist. Form:Solid IC50& Target:5-HT 1A Receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	1-benzoylpiperidines
Alternative Parents	N-benzoylpiperidines 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides 2-pyridylmethylamines Aralkylamines Chlorobenzenes Fluorobenzenes Methylpyridines Aryl fluorides Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organooxygen compounds Organochlorides Hydrocarbon derivatives Alkyl fluorides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzoylpiperidine - 1-benzoylpiperidine - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - 2-pyridylmethylamine - Halobenzene - Methylpyridine - Fluorobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors	Not available
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

Product Properties

ALogP	3.2

Associated Targets(Human)

HTR1A Tclin 5-hydroxytryptamine receptor 1A (2 Activities)

Discover Target: HTR1A

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

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

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

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

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
INCHI	InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
InChIKey	PKZXLMVXBZICTF-UHFFFAOYSA-N
Smiles	CC1=CN=C(C=C1)CNCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F
Isomeric SMILES	CC1=CN=C(C=C1)CNCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F
Alternate CAS	208110-64-9；2436760-81-3
PubChem CID	9865384
MeSH Entry Terms	((3-chloro-4-fluoro-phenyl)-(4-fluoro-4-((5-methyl-pyridin-2-ylmethyl)-amino)-methyl)piperidin-1-yl)-methadone;befiradol;F 13640;F13640;NLX-112
Molecular Weight	393.86

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	393.900 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	393.142 Da
Monoisotopic Mass	393.142 Da
Topological Polar Surface Area	45.200 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	502.000
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

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