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N-(tert-Butyl)-4′-((6-iodo-4-oxo-2-propylquinazolin-3(4H)-yl)methyl)-[1,1′-biphenyl]-2-sulfonamide

ALDRICH/901752

Synonym: Aryl halide chemistry informer library compound X15

CAS Number: 145863-90-7
Empirical Formula (Hill Notation): C28H30IN3O3S
Molecular Weight: 615.53
MDL Number: MFCD31707685
Linear Formula: C28H30IN3O3S
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-901752-100MG 100 mg
 $151.00
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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: 901752-100MG.

 

form powder
functional group amine
  iodo
InChI 1S/C28H30IN3O3S/c1-5-8-26-30-24-16-15-21(29)17-23(24)27(33)32(26)18-19-11-13-20(14-12-19)22-9-6-7-10-25(22)36(34,35)31-28(2,3)4/h6-17,30-31H,5,18H2,1-4H3
InChI key FJYBBPNOASJSBG-UHFFFAOYSA-N
mp 239-243 °C
SMILES string Ic1cc2c(cc1)NC(=CCC)N(C2=O)Cc3ccc(cc3)c4c(cccc4)[S](=O)(=O)NC(C)(C)C
Application: This product is Informer compound X15 of the Aryl Halide Chemistry Informer Library  developed by chemists at Merck & Co., 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 analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.
Disclaimer: Not fully tested.
Other Notes: Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613 

Nanomole-scale high-throughput chemistry for the synthesis of complex molecules 

Aryl amination using ligand-free Ni(II) salts and photoredox catalysis 
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
mp 239-243 °C
UNSPSC 12352111

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