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BCX 1470 - ≥98%, high purity , CAS No.217099-43-9

COA

Grade & Purity:

≥98%

Cas Number: 217099-43-9
Molecular Weight: 302.4
PubChem CID: 9822205

In stock

Item Number

B710340

Grouped product items
SKU	Size	Availability	Price	Qty
B710340-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,311.90
B710340-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,060.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol esters
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol esters
Alternative Parents	1-benzothiophenes Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Heteroaromatic compounds Carboxylic acid esters Carboximidamides Carboxamidines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenol ester - Benzothiophene - 1-benzothiophene - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Carboximidamide - Amidine - Carboxylic acid derivative - Carboxylic acid amidine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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

Associated Targets(Human)

CFD Tchem Complement factor D (2 Activities)

Discover Target: CFD

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

C1S Tclin Complement C1s subcomponent (2 Activities)

Discover Target: C1S

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

C1S Tclin Complement C1s (188 Activities)

Discover Target: C1S

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

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-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylate
INCHI	InChI=1S/C14H10N2O2S2/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10/h1-7H,(H3,15,16)
InChIKey	OTGQTQBPQCRNRG-UHFFFAOYSA-N
Smiles	C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(S3)C(=N)N
Isomeric SMILES	C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(S3)C(=N)N
PubChem CID	9822205
Molecular Weight	302.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	302.400 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	302.018 Da
Monoisotopic Mass	302.018 Da
Topological Polar Surface Area	133.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	405.000
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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