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BQR695 - 10mM in DMSO, high purity , CAS No.1513879-21-4

COA

Grade & Purity:

10mM in DMSO

Cas Number: 1513879-21-4
Molecular Weight: 352.39
PubChem CID: 112499905

In stock

Item Number

B421795

Grouped product items
SKU	Size	Availability	Price	Qty
B421795-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

PI4K Inhibitors

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Compound libraries (12325)

Basic Description

Synonyms	NVP-BQR695；2-((7-(3,4-Dimethoxyphenyl)quinoxalin-2-yl)amino)-N-methylacetamide
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	BQR695 (NVP-BQR695) is a quinoxaline that displays sub-micromolar potency against human PI4KIIIβ (IC50~90 nM).
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information BQR695 BQR695 (NVP-BQR695) is a quinoxaline that displays sub-micromolar potency against human PI4KIIIβ (IC50~90 nM). Targets PI4KIIIβ ~90 nM

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid amides
Alternative Parents	Quinoxalines Dimethoxybenzenes Phenoxy compounds Anisoles Aminopyrazines Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid amide - Diazanaphthalene - Quinoxaline - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrazine - Pyrazine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
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

IUPAC Name	2-[[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]amino]-N-methylacetamide
INCHI	InChI=1S/C19H20N4O3/c1-20-19(24)11-22-18-10-21-14-6-4-12(8-15(14)23-18)13-5-7-16(25-2)17(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,24)(H,22,23)
InChIKey	LYPCULYCGFOIDA-UHFFFAOYSA-N
Smiles	CNC(=O)CNC1=CN=C2C=CC(=CC2=N1)C3=CC(=C(C=C3)OC)OC
Isomeric SMILES	CNC(=O)CNC1=CN=C2C=CC(=CC2=N1)C3=CC(=C(C=C3)OC)OC
Molecular Weight	352.39
Reaxy-Rn	26857859
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26857859&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	352.400 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	352.154 Da
Monoisotopic Mass	352.154 Da
Topological Polar Surface Area	85.400 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	464.000
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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