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5-HT Receptor
5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)thiazol-4-yl)thiophene-2-carboxamide - 98%, high purity , CAS No.68377-92-4

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5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)thiazol-4-yl)thiophene-2-carboxamide - 98%, high purity , CAS No.68377-92-4

COA

Grade & Purity:

≥98%

Cas Number: 68377-92-4
Molecular Weight: 371.54
PubChem CID: 2239
PubChem SID: 504750544

In stock

Item Number

T194584

Grouped product items
SKU	Size	Availability	Price
T194584-5mg	5mg	3	$88.90
T194584-10mg	10mg	3	$147.90
T194584-25mg	25mg	3	$325.90
T194584-50mg	50mg	3	$586.90
T194584-100mg	100mg	3	$1,056.90
T194584-250mg	250mg	2	$2,376.90

View related series

5-HT Receptor (264) Adrenergic Receptor (261) Class A GPCR (4138) GPCR/G Protein (3172) Neuronal Signaling (3320)

Basic Description

Synonyms	5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)thiazol-4-yl)thiophene-2-carboxamide \| UNII-394E3P3B99 \| NSC317940 \| NSC-317940 \| Arotinololum \| Arotinolol [INN] \| CAS_52560-77-7 \| DTXSID3022619 \| MFCD00865895 \| AMY14182 \| 2-Thiophenecarboxamide, 5-(2-((3
Specifications & Purity	≥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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxamides
Alternative Parents	2-heteroaryl carboxamides Alkylarylthioethers 2,5-disubstituted thiophenes 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary alcohols Primary carboxylic acid amides Amino acids and derivatives 1,2-aminoalcohols Sulfenyl compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Aryl thioether - Thiophene carboxamide - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - 2,5-disubstituted thiophene - Azole - Heteroaromatic compound - Thiazole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Sulfenyl compound - Secondary amine - Thioether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Alcohol - Amine - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
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

Associated Targets(Human)

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Pubchem Sid	504750544
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504750544
IUPAC Name	5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
INCHI	InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
InChIKey	BHIAIPWSVYSKJS-UHFFFAOYSA-N
Smiles	CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O
Isomeric SMILES	CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O
PubChem CID	2239
Molecular Weight	371.54

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
A2303626	Certificate of Analysis	Dec 15, 2022	T194584
A2303627	Certificate of Analysis	Dec 15, 2022	T194584
A2303614	Certificate of Analysis	Dec 15, 2022	T194584
A2303613	Certificate of Analysis	Dec 15, 2022	T194584
A2303616	Certificate of Analysis	Dec 15, 2022	T194584
A2303615	Certificate of Analysis	Dec 15, 2022	T194584

Chemical and Physical Properties

Solubility	Dimethylisopropylsulfonamide: 250 mg/ml (672.88 mm)
Molecular Weight	371.500 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	371.08 Da
Monoisotopic Mass	371.08 Da
Topological Polar Surface Area	170.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	406.000
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	1

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