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Small Molecules & Compound Libraries
Signaling Pathways
GPCR/G Protein
GPR84
setogepram , G-protein coupled receptor 84 antagonist, CAS No.1002101-19-0, G-protein coupled receptor 84 antagonist

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setogepram , G-protein coupled receptor 84 antagonist, CAS No.1002101-19-0, G-protein coupled receptor 84 antagonist

COA

Grade & Purity:

Moligand™

Cas Number: 1002101-19-0
Molecular Weight: 206.28
PubChem CID: 24749700

In stock

Item Number

S613548

Grouped product items
SKU	Size	Availability	Price	Qty
S613548-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
S613548-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

View related series

Class A GPCR (4138) FFA1 receptor Agonist (17) GPR84 Antagonist (2)

Basic Description

Synonyms	2-(3-Pentylphenyl)acetic acid \| 1002101-19-0 (free acid) \| BDBM50548388 \| setogepram \| DB15447 \| HY-100775A \| CS-0062694 \| 1002101-19-0 \| AKOS028113459 \| Benzeneacetic acid, 3-pentyl- \| Z1508932704 \| EN300-1168886 \| CQB10119 \| 2-(3-Pentylphenyl)aceticacid
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST, ANTAGONIST
Mechanism of action	G-protein coupled receptor 84 antagonist

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	4

Associated Targets(Human)

GPR84 Tchem G-protein coupled receptor 84 (1 Activities)

Discover Target: GPR84

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

FFAR1 Tchem Free fatty acid receptor 1 (1 Activities)

Discover Target: FFAR1

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

Associated Targets(non-human)

Mus musculus (284745 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	2-(3-pentylphenyl)acetic acid
INCHI	InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
InChIKey	PEGQOIGYZLJMIB-UHFFFAOYSA-N
Smiles	CCCCCc1cccc(c1)CC(=O)O
Isomeric SMILES	CCCCCC1=CC(=CC=C1)CC(=O)O
PubChem CID	24749700
Molecular Weight	206.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.280 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	206.131 Da
Monoisotopic Mass	206.131 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	189.000
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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