5591-0471 Screening compound: pentyl 5-(2,5-dichlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

5591-0471 Screening compound: pentyl 5-(2,5-dichlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
5591-0471 Screening compound: pentyl 5-(2,5-dichlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-0471
pentyl 5-(2,5-dichlorobenzenesulfonamido)-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

5591-0471

Molecular Formula

C21H21Cl2NO5S (C21 H21 Cl2 NO5 S)

Compound Name

pentyl 5-(2,5-dichlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

pentyl 5-(25-dichlorobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCCCCOC(c1c(C)oc(cc2)c1cc2NS(c(cc(cc1)Cl)c1Cl)(=O)=O)=O

InChI

InChI=1S/C21H21Cl2NO5S/c1-3-4-5-10-28-21(25)20-13(2)29-18-9-7-15(12-16(18)20)24-30(26,27)19-11-14(22)6-8-17(19)23/h6-9,11-12,24H,3-5,10H2,1-2H3

InChI Key

IKAACMMHSYRLJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03470933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.154

Distribution Coefficient, logD

6.108

Water Solubility, LogSw

-6.30

Polar Surface Area

69.883

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-12.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5591-0471 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5591-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-0471?
Check Price and Availability of 5591-0471, 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 5591-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-0471
  • 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 5591-0471 available by request