5591-2313 Screening compound: 4-tert-butyl-N-[(1Z)-4-oxo-3-(phenylamino)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

5591-2313 Screening compound: 4-tert-butyl-N-[(1Z)-4-oxo-3-(phenylamino)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide
5591-2313 Screening compound: 4-tert-butyl-N-[(1Z)-4-oxo-3-(phenylamino)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2313
4-tert-butyl-N-[(1Z)-4-oxo-3-(phenylamino)-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

5591-2313

Molecular Formula

C26H24N2O3S (C26 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1S(/N=C(/C=C1Nc2ccccc2)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C26H24N2O3S/c1-26(2,3)18-13-15-20(16-14-18)32(30,31)28-23-17-24(27-19-9-5-4-6-10-19)25(29)22-12-8-7-11-21(22)23/h4-17,27H,1-3H3

InChI Key

PFTSWONMVBFREO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.291

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-5.59

Polar Surface Area

62.132

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5591-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2313?
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What is the minimum amount of 5591-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2313
  • 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 5591-2313 available by request