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7-Bromoindole-2-carboxylic acid - ≥95.0%, high purity , CAS No.16732-71-1

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7-Bromoindole-2-carboxylic acid - ≥95.0%, high purity , CAS No.16732-71-1

COA

Grade & Purity:

≥95%

Cas Number: 16732-71-1
Molecular Weight: 240.05
MDL number: MFCD00744954
PubChem CID: 575012
PubChem SID: 504759324

In stock

Item Number

B124787

Grouped product items
SKU	Size	Availability	Price	Qty
B124787-1g	1g	5	$81.90
B124787-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$239.90

Basic Description

Synonyms	FT-0602627 \| AMY1737 \| BBL100351 \| B-8670 \| SB13960 \| AKOS005144106 \| Z431558930 \| 7-Bromo-1H-indole-2-carboxylic acid # \| STL554144 \| 1H-Indole-2-carboxylic acid, 7-bromo- \| SY110415 \| 7-Bromoindole-2-carboxylic acid, 95% \| AC-5214 \| BB 0248936 \| MFCD007
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids and derivatives
Alternative Parents	Indoles Pyrrole 2-carboxylic acids Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl halide - Benzenoid - Substituted pyrrole - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
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

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	504759324
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759324
IUPAC Name	7-bromo-1H-indole-2-carboxylic acid
INCHI	InChI=1S/C9H6BrNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)
InChIKey	ZKGMXVLKFBRKNN-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)Br)NC(=C2)C(=O)O
Isomeric SMILES	C1=CC2=C(C(=C1)Br)NC(=C2)C(=O)O
WGK Germany	3
Molecular Weight	240.05
Reaxy-Rn	154422
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154422&ln=

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.

2 results found

Lot Number	Certificate Type	Date	Item
E2326169	Certificate of Analysis	Aug 09, 2022	B124787
J1916216	Certificate of Analysis	Aug 09, 2022	B124787

Chemical and Physical Properties

Melt Point(°C)	238-243°C
Molecular Weight	240.050 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	238.958 Da
Monoisotopic Mass	238.958 Da
Topological Polar Surface Area	53.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222.000
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

Documents & Articles

The process path of EBL-3183: from indole to preclinical inhibitor

Categories: Technical articles

Tags:

Building Blocks Inhibitors MBLs Indoles

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