5591-3468 Screening compound: 4-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]phenyl pyridine-4-carboxylate

5591-3468 Screening compound: 4-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]phenyl pyridine-4-carboxylate
5591-3468 Screening compound: 4-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]phenyl pyridine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3468
4-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]phenyl pyridine-4-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5591-3468

Molecular Formula

C26H21N3O5S (C26 H21 N3 O5 S)

Compound Name

4-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]phenyl pyridine-4-carboxylate

IUPAC name

4-[N-(24-dimethylbenzenesulfonyl)pyridine-4-amido]phenyl pyridine-4-carboxylate

SMILES

Cc(cc1)cc(C)c1S(N(C(c1ccncc1)=O)c(cc1)ccc1OC(c1ccncc1)=O)(=O)=O

InChI

InChI=1S/C26H21N3O5S/c1-18-3-8-24(19(2)17-18)35(32,33)29(25(30)20-9-13-27-14-10-20)22-4-6-23(7-5-22)34-26(31)21-11-15-28-16-12-21/h3-17H,1-2H3

InChI Key

DJIQTUXWFHPGOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.66

Polar Surface Area

84.780

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

5591-3468 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5591-3468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3468?
Check Price and Availability of 5591-3468, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5591-3468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3468
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5591-3468 available by request