Skip to the beginning of the images gallery

ML336 - 95%, high purity , CAS No.1613465-33-0

COA

Grade & Purity:

≥95%

Cas Number: 1613465-33-0
Molecular Weight: 367.40
PubChem CID: 71301451

In stock

Item Number

M413125

Grouped product items
SKU	Size	Availability	Price
M413125-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
M413125-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
M413125-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$446.90
M413125-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$769.90
M413125-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,399.90

View related series

Virus (1811) Virus Protease (105)

Basic Description

Synonyms	(E)-2-((1,4-dimethylpiperazin-2-ylidene)-amino)-5-nitro-n-phenylbenzamide
Specifications & Purity	≥95%
Biochemical and Physiological Mechanisms	ML336 is a potent inhibitor of the Venezuelan equine encephalitis virus (VEEV) strain TC-83.
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.
Product Description	Information ML336 is a potent inhibitor of the Venezuelan equine encephalitis virus (VEEV) strain TC-83. ML336 is quinazolinone-based inhibitor against venezuelan equine encephalitis virus (VEEV), with IC50s of 32, 20, and 42 nM for VEEV TC-83 CPE , VEEV V3526 CPE, VEEV Wild Type CPE, respectively. ML336 potently inhibits a VEEV-induced cytopathic effect in three strains of the virus (TC-83, V3526, and wild type Trinidad donkey) in the low nanomolar range.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-methylpiperazines Imidolactams Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzanilide - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Imidolactam - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid amidine - Carboxylic acid derivative - Amidine - Azacycle - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
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	2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide
INCHI	InChI=1S/C19H21N5O3/c1-22-10-11-23(2)18(13-22)21-17-9-8-15(24(26)27)12-16(17)19(25)20-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
InChIKey	DCAMTBFFNOHDAW-UHFFFAOYSA-N
Smiles	CN1CCN(C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)C1)C
Isomeric SMILES	CN1CCN(C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)C1)C
Molecular Weight	367.40
Reaxy-Rn	26966740
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26966740&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	367.400 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	367.164 Da
Monoisotopic Mass	367.164 Da
Topological Polar Surface Area	93.800 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	570.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration