5591-3488 Screening compound: methyl 5-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate

5591-3488 Screening compound: methyl 5-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate
5591-3488 Screening compound: methyl 5-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3488
methyl 5-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-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

5591-3488

Molecular Formula

C25H22N2O6S (C25 H22 N2 O6 S)

Compound Name

methyl 5-[N-(2,4-dimethylbenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

methyl 5-[N-(24-dimethylbenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)N(C(c3ccncc3)=O)S(c3c(C)cc(C)cc3)(=O)=O)c2o1

InChI

InChI=1S/C25H22N2O6S/c1-15-5-8-22(16(2)13-15)34(30,31)27(24(28)18-9-11-26-12-10-18)19-6-7-21-20(14-19)23(17(3)33-21)25(29)32-4/h5-14H,1-4H3

InChI Key

QHVUMCPJZWNQIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.25

Polar Surface Area

84.096

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5591-3488 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5591-3488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3488?
Check Price and Availability of 5591-3488, 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 5591-3488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3488
  • 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 5591-3488 available by request