5591-3630 Screening compound: 4-[[(4-methylphenyl)sulfonyl](4-pyridylcarbonyl)amino]phenyl isonicotinate

5591-3630 Screening compound: 4-[[(4-methylphenyl)sulfonyl](4-pyridylcarbonyl)amino]phenyl isonicotinate
5591-3630 Screening compound: 4-[[(4-methylphenyl)sulfonyl](4-pyridylcarbonyl)amino]phenyl isonicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3630
4-[[(4-methylphenyl)sulfonyl](4-pyridylcarbonyl)amino]phenyl isonicotinate

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

5591-3630

Molecular Formula

C25H19N3O5S (C25 H19 N3 O5 S)

Compound Name

4-[[(4-methylphenyl)sulfonyl](4-pyridylcarbonyl)amino]phenyl isonicotinate

IUPAC name

n/a

SMILES

Cc(cc1)ccc1S(N(C(c1ccncc1)=O)c(cc1)ccc1OC(c1ccncc1)=O)(=O)=O

InChI

InChI=1S/C25H19N3O5S/c1-18-2-8-23(9-3-18)34(31,32)28(24(29)19-10-14-26-15-11-19)21-4-6-22(7-5-21)33-25(30)20-12-16-27-17-13-20/h2-17H,1H3

InChI Key

GRLNKBWHOPNBNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.51

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

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.28

Polar Surface Area

84.780

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

5591-3630 in Drug Discovery

Included in Screening Libraries

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 5591-3630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3630?
Check Price and Availability of 5591-3630, 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 5591-3630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3630
  • 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 5591-3630 available by request