5591-1884 Screening compound: heptyl 2-methyl-5-(2,4,5-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

5591-1884 Screening compound: heptyl 2-methyl-5-(2,4,5-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate
5591-1884 Screening compound: heptyl 2-methyl-5-(2,4,5-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-1884
heptyl 2-methyl-5-(2,4,5-trimethylbenzenesulfonamido)-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

5591-1884

Molecular Formula

C26H33NO5S (C26 H33 NO5 S)

Compound Name

heptyl 2-methyl-5-(2,4,5-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

IUPAC name

heptyl 2-methyl-5-(245-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

SMILES

CCCCCCCOC(c1c(C)oc(cc2)c1cc2NS(c1c(C)cc(C)c(C)c1)(=O)=O)=O

InChI

InChI=1S/C26H33NO5S/c1-6-7-8-9-10-13-31-26(28)25-20(5)32-23-12-11-21(16-22(23)25)27-33(29,30)24-15-18(3)17(2)14-19(24)4/h11-12,14-16,27H,6-10,13H2,1-5H3

InChI Key

QTGZYKSUKREUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.723

Distribution Coefficient, logD

7.530

Water Solubility, LogSw

-5.76

Polar Surface Area

69.883

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-11.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

5591-1884 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5591-1884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-1884?
Check Price and Availability of 5591-1884, 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 5591-1884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-1884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-1884
  • 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 5591-1884 available by request