Skip to the beginning of the images gallery

XL 413 hydrochloride - 98%, high purity , CAS No.1169562-71-3

COA

Grade & Purity:

≥98%

Cas Number: 1169562-71-3
Molecular Weight: 326.18
PubChem CID: 135564631
PubChem SID: 504773385

In stock

Item Number

X287123

Grouped product items
SKU	Size	Availability	Price
X287123-2mg	2mg	3	$56.90
X287123-10mg	10mg	2	$215.90
X287123-50mg	50mg	2	$904.90
X287123-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$4,069.90

Potent and selective Cdc7 inhibitor

View related series

Cell Cycle (2830)

Basic Description

Synonyms	1169562-71-3 \| XL413 hydrochloride \| AKOS025147371 \| Xl413 HCl \| DISODIUM CROMOLYN [INCI] \| MFCD28023577 \| BMS-863233 (XL-413) \| 8-Chloro-2-(2S)-2-pyrrolidinylbenzofuro[3,2-d]pyrimidin-4(3H)-one hydrochloride \| AS-56982 \| J-690040 \| UNII-JG305JRH1Z \| (17a
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	XL413 is a selective inhibitor of the serine-threonine kinase CDC7 (cell division cycle 7 homolog), a regulator of cell cycle checkpoint control that has been implicated in protecting tumor cells from apoptotic cell death during replication stress. XL413
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 Benzofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzofurans
Alternative Parents	Pyrimidones Aralkylamines Aryl chlorides Benzenoids Vinylogous amides Pyrrolidines Furans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Organooxygen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzofuran - Pyrimidone - Aralkylamine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Secondary amine - Secondary aliphatic amine - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
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

Pubchem Sid	504773385
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773385
IUPAC Name	8-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
INCHI	InChI=1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1
InChIKey	UNDKJUKLBNARIZ-FVGYRXGTSA-N
Smiles	C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl
Isomeric SMILES	C1C[C@H](NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl
PubChem CID	135564631
Molecular Weight	326.18

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.

4 results found

Lot Number	Certificate Type	Date	Item
I2109456	Certificate of Analysis	Jun 21, 2024	X287123
I2109548	Certificate of Analysis	Jun 21, 2024	X287123
I2109549	Certificate of Analysis	Jun 21, 2024	X287123
I2109570	Certificate of Analysis	Jun 21, 2024	X287123

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 6.52, Max Conc. mM: 20
Molecular Weight	326.200 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	325.038 Da
Monoisotopic Mass	325.038 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	456.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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	2

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