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2-(3-Pentylphenyl)acetic acid(PBI-4050) - Moligand™,≥95% , G-protein coupled receptor 84 antagonist, CAS No.1002101-19-0, G-protein coupled receptor 84 antagonist

CAS: 1002101-19-0 Cat. No.: S613548 Molecular Weight: 206.28 PubChem CID: 24749700
COA
2-(3-Pentylphenyl)acetic acid(PBI-4050) - Moligand™,≥95% , G-protein coupled receptor 84 antagonist, CAS No.1002101-19-0, G-protein coupled receptor 84 antagonist
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
Synonyms
2-(3-Pentylphenyl)acetic acid | 1002101-19-0 (free acid) | BDBM50548388 | setogepram | DB15447 | HY-100775A | 1002101-19-0 | AKOS028113459 | Benzeneacetic acid, 3-pentyl- | Z1508932704 | EN300-1168886 | CQB10119 | 2-(3-Pentylphenyl)aceticacid | (3-pentylp
Storage
Room temperature,Desiccated,Cool
Shipped In
Normal
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
S613548-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$249.90
25mg
S613548-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$641.90
100mg
S613548-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$589.90
500mg
S613548-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,399.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

Moligand™,≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated,Cool Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

ezagepras (Setogepram) is an active GPR40 agonist and is an antagonist or inverse agonist of GPR84 with anti-inflammatory, anti-fibrotic, and anti-proliferative actions.

Specifications

Synonyms
2-(3-Pentylphenyl)acetic acid | 1002101-19-0 (free acid) | BDBM50548388 | setogepram | DB15447 | HY-100775A | 1002101-19-0 | AKOS028113459 | Benzeneacetic acid, 3-pentyl- | Z1508932704 | EN300-1168886 | CQB10119 | 2-(3-Pentylphenyl)aceticacid | (3-pentylp
Specifications & Purity
Moligand™, ≥95%
Storage
Room temperature, Desiccated, Cool
Shipped In
Normal
Grade
Moligand™
Action Type
AGONIST, ANTAGONIST
Mechanism of action
G-protein coupled receptor 84 antagonist
Purity
≥95%
Product Properties
ALogP4
Names and Identifiers
Canonical SmilesCCCCCc1cccc(c1)CC(=O)O
IUPAC Name2-(3-pentylphenyl)acetic acid
InChIKeyPEGQOIGYZLJMIB-UHFFFAOYSA-N
INCHI1S/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)
Isomeric SMILES CCCCCC1=CC(=CC=C1)CC(=O)O
PubChem CID 24749700
Molecular Weight 206.28

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GPR84 Tchem G-protein coupled receptor 84 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FFAR1 Tchem Free fatty acid receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight206.280 g/mol
XLogP34.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass206.131 Da
Monoisotopic Mass206.131 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity189.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →
Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

View related series

Class A GPCR (8120) FFA1 receptor Agonist (17) GPR84 Antagonist (2)
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