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GSK121 trifluoroacetate , CAS No.1652591-80-4

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1652591-80-4
Molecular Weight: 501.50
PubChem CID: 86340181

In stock

Item Number

G412960

Grouped product items
SKU	Size	Availability	Price
G412960-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90
G412960-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$179.90
G412960-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$369.90
G412960-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
G412960-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$949.90

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Basic Description

Specifications & Purity	Moligand™, ≥98%
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.
Grade	Moligand™
Product Description	GSK121 trifluoroacetate is a selective inhibitor of PAD4.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass N-acylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	N-acylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzoylpiperidines
Alternative Parents	N-alkylindoles Benzimidazoles Indoles Aminopiperidines Benzenoids N-substituted imidazoles N-methylpyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Alpha-halocarboxylic acids Amino acids and derivatives Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Monoalkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Alkyl fluorides
Molecular Framework	Not available
Substituents	N-benzoylpiperidine - N-alkylindole - Benzimidazole - Indole - Indole or derivatives - 3-aminopiperidine - N-methylpyrrole - Benzenoid - N-substituted imidazole - Substituted pyrrole - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Azole - Imidazole - Alpha-halocarboxylic acid - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Alkyl halide - Amine - Primary aliphatic amine - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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

Names and Identifiers

IUPAC Name	(3-aminopiperidin-1-yl)-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;2,2,2-trifluoroacetic acid
INCHI	InChI=1S/C23H25N5O.C2HF3O2/c1-26-19-8-4-3-6-15(19)13-21(26)22-25-18-12-16(9-10-20(18)27(22)2)23(29)28-11-5-7-17(24)14-28;3-2(4,5)1(6)7/h3-4,6,8-10,12-13,17H,5,7,11,14,24H2,1-2H3;(H,6,7)
InChIKey	CUCLWQZRCAQPJM-UHFFFAOYSA-N
Smiles	CN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)N)N=C1C4=CC5=CC=CC=C5N4C.C(=O)(C(F)(F)F)O
Isomeric SMILES	CN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)N)N=C1C4=CC5=CC=CC=C5N4C.C(=O)(C(F)(F)F)O
PubChem CID	86340181
Molecular Weight	501.50

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
F2519201	Certificate of Analysis	Dec 06, 2024	G412960
F2519728	Certificate of Analysis	Dec 06, 2024	G412960
F2519729	Certificate of Analysis	Dec 06, 2024	G412960
F2519730	Certificate of Analysis	Dec 06, 2024	G412960
F2519731	Certificate of Analysis	Dec 06, 2024	G412960
F2519732	Certificate of Analysis	Dec 06, 2024	G412960
F2519733	Certificate of Analysis	Dec 06, 2024	G412960
F2519734	Certificate of Analysis	Dec 06, 2024	G412960
F2519735	Certificate of Analysis	Dec 06, 2024	G412960
F2519736	Certificate of Analysis	Dec 06, 2024	G412960

Chemical and Physical Properties

Molecular Weight	501.500 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	501.199 Da
Monoisotopic Mass	501.199 Da
Topological Polar Surface Area	106.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	698.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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