5591-3686 Screening compound: N-{3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl}-4-methyl-3-nitrobenzene-1-sulfonamide

5591-3686 Screening compound: N-{3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl}-4-methyl-3-nitrobenzene-1-sulfonamide
5591-3686 Screening compound: N-{3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl}-4-methyl-3-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3686
N-{3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl}-4-methyl-3-nitrobenzene-1-sulfonamide

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

5591-3686

Molecular Formula

C22H18N2O6S (C22 H18 N2 O6 S)

Compound Name

N-{3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl}-4-methyl-3-nitrobenzene-1-sulfonamide

IUPAC name

N-{3-acetyl-2-methylnaphtho[12-b]furan-5-yl}-4-methyl-3-nitrobenzene-1-sulfonamide

SMILES

CC(c1c(C)oc(c2ccccc22)c1cc2NS(c1cc([N+]([O-])=O)c(C)cc1)(=O)=O)=O

InChI

InChI=1S/C22H18N2O6S/c1-12-8-9-15(10-20(12)24(26)27)31(28,29)23-19-11-18-21(13(2)25)14(3)30-22(18)17-7-5-4-6-16(17)19/h4-11,23H,1-3H3

InChI Key

ADZHGGIIUGSZAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.88

Polar Surface Area

95.006

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

-10.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5591-3686 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 5591-3686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3686?
Check Price and Availability of 5591-3686, 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 5591-3686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3686
  • 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 5591-3686 available by request