3594-1116 Screening compound: octyl 5-benzenesulfonamido-2-methylnaphtho[1,2-b]furan-3-carboxylate

3594-1116 Screening compound: octyl 5-benzenesulfonamido-2-methylnaphtho[1,2-b]furan-3-carboxylate
3594-1116 Screening compound: octyl 5-benzenesulfonamido-2-methylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3594-1116
octyl 5-benzenesulfonamido-2-methylnaphtho[1,2-b]furan-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

3594-1116

Molecular Formula

C28H31NO5S (C28 H31 NO5 S)

Compound Name

octyl 5-benzenesulfonamido-2-methylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

octyl 5-benzenesulfonamido-2-methylnaphtho[12-b]furan-3-carboxylate

SMILES

CCCCCCCCOC(c1c(C)oc(c2ccccc22)c1cc2NS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C28H31NO5S/c1-3-4-5-6-7-13-18-33-28(30)26-20(2)34-27-23-17-12-11-16-22(23)25(19-24(26)27)29-35(31,32)21-14-9-8-10-15-21/h8-12,14-17,19,29H,3-7,13,18H2,1-2H3

InChI Key

KIWZODWDOSMSFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.62

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

7.557

Distribution Coefficient, logD

7.546

Water Solubility, LogSw

-5.82

Polar Surface Area

69.147

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with 3594-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3594-1116?
Check Price and Availability of 3594-1116, 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 3594-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3594-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3594-1116
  • 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 3594-1116 available by request