5591-2331 Screening compound: 4-tert-butyl-N-[(1Z)-3-[(4-methoxyphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

5591-2331 Screening compound: 4-tert-butyl-N-[(1Z)-3-[(4-methoxyphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide
5591-2331 Screening compound: 4-tert-butyl-N-[(1Z)-3-[(4-methoxyphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2331
4-tert-butyl-N-[(1Z)-3-[(4-methoxyphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-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

5591-2331

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

4-tert-butyl-N-[(1Z)-3-[(4-methoxyphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

IUPAC name

4-tert-butyl-N-[(1Z)-3-[(4-methoxyphenyl)amino]-4-oxo-14-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

SMILES

CC(C)(C)c(cc1)ccc1S(/N=C(/C=C1Nc(cc2)ccc2OC)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C27H26N2O4S/c1-27(2,3)18-9-15-21(16-10-18)34(31,32)29-24-17-25(26(30)23-8-6-5-7-22(23)24)28-19-11-13-20(33-4)14-12-19/h5-17,28H,1-4H3

InChI Key

QVENJAPXZCLLRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.465

Distribution Coefficient, logD

6.444

Water Solubility, LogSw

-5.76

Polar Surface Area

69.676

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 5591-2331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2331?
Check Price and Availability of 5591-2331, 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 5591-2331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2331
  • 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 5591-2331 available by request