Advanced Search



7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione

ALDRICH/901747

Synonym: Aryl halide chemistry informer library compound X12

CAS Number: 569351-91-3
Empirical Formula (Hill Notation): C22H28BrN5O5
Molecular Weight: 522.39
MDL Number: MFCD31807142
Linear Formula: C22H28BrN5O5
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-901747-100MG 100 mg
 $151.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 901747-100MG.

 

form powder or crystals
InChI 1S/C22H28BrN5O5/c1-3-26-20(31)18-19(27(9-10-29)22(26)32)25-21(24-15-5-4-6-16(15)30)28(18)12-13-7-8-17(33-2)14(23)11-13/h7-8,11,15-16,29-30H,3-6,9-10,12H2,1-2H3,(H,24,25)
InChI key RCJYGWGQCPDYSL-UHFFFAOYSA-N
SMILES string Brc1c(ccc(c1)C[n]2c3c(nc2NC4C(CCC4)O)N(C(=O)N(C3=O)CC)CCO)OC
Application: This product is Informer compound X12 of the Aryl Halide Chemistry Informer Library  developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S.., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyze a reactions′s successes and shortcomings among different methods and various research teams. It may also be used to faciliate deeper method development for performance or utility.
Disclaimer: Not Fully Tested.
Other Notes: 1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613 

2.Nanomole-scale high-throughput chemistry for the synthesis of complex molecules 
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
UNSPSC 12352101

The following items have been added to your cart:

Choose a favorite list for this item:
Catalog Number Description Price
$

Returns/Order support

Please fill out the form below if you want to request order support from Krackeler Scientific.


Quick Order

* Required


New Tariffs & Effects on Pricing

Tariff note: As we navigate the current environment of tariff surcharges and mid-year manufacturer price increases, we want to keep you informed. While we have avoided making specific decisions thus far, we anticipate that we will be forced to implement a cost adjustment policy to offset the fees we have already been absorbing. We are committed to transparency and moderation in this process.

800-334-7725
office@krackeler.com


Play Video

To Request a Quote

  1. Search or Browse for items and add to them to your Shopping Cart.
  2. Click the "Request Quote" button at the bottom of the Shopping Cart page.
  3. Fill out required fields.
  4. Optionally you can convert to standard checkout mode by choosing a payment type.
  5. Click "Request Quote" at the bottom of the page.

You will be contacted with a quote.

To Order From a Quote

  1. Register and login to the website.
  2. Receive a quote from your sales representative or customer service.
  3. Have your copy of the quote in hand.
  4. Visit our quote module to search for your quote.
Back to Top