5591-1292 Screening compound: octyl 5-benzenesulfonamido-2-methyl-1-benzofuran-3-carboxylate

5591-1292 Screening compound: octyl 5-benzenesulfonamido-2-methyl-1-benzofuran-3-carboxylate
5591-1292 Screening compound: octyl 5-benzenesulfonamido-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-1292
octyl 5-benzenesulfonamido-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

5591-1292

Molecular Formula

C24H29NO5S (C24 H29 NO5 S)

Compound Name

octyl 5-benzenesulfonamido-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

octyl 5-benzenesulfonamido-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCCCCCCCOC(c1c(C)oc(cc2)c1cc2NS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C24H29NO5S/c1-3-4-5-6-7-11-16-29-24(26)23-18(2)30-22-15-14-19(17-21(22)23)25-31(27,28)20-12-9-8-10-13-20/h8-10,12-15,17,25H,3-7,11,16H2,1-2H3

InChI Key

MSVGXOFQMYYDQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03470989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.696

Distribution Coefficient, logD

6.650

Water Solubility, LogSw

-5.67

Polar Surface Area

69.883

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-11.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 5591-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-1292?
Check Price and Availability of 5591-1292, 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 5591-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-1292
  • 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 5591-1292 available by request