5591-2597 Screening compound: ethyl 4-{[(4Z)-4-[(4-ethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate

5591-2597 Screening compound: ethyl 4-{[(4Z)-4-[(4-ethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate
5591-2597 Screening compound: ethyl 4-{[(4Z)-4-[(4-ethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2597
ethyl 4-{[(4Z)-4-[(4-ethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate

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

5591-2597

Molecular Formula

C27H24N2O5S (C27 H24 N2 O5 S)

Compound Name

ethyl 4-{[(4Z)-4-[(4-ethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate

IUPAC name

ethyl 4-{[(4Z)-4-[(4-ethylbenzenesulfonyl)imino]-1-oxo-14-dihydronaphthalen-2-yl]amino}benzoate

SMILES

CCc(cc1)ccc1S(/N=C(/C=C1Nc(cc2)ccc2C(OCC)=O)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C27H24N2O5S/c1-3-18-9-15-21(16-10-18)35(32,33)29-24-17-25(26(30)23-8-6-5-7-22(23)24)28-20-13-11-19(12-14-20)27(31)34-4-2/h5-17,28H,3-4H2,1-2H3

InChI Key

MSNNODFKCCTJOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.220

Distribution Coefficient, logD

6.220

Water Solubility, LogSw

-5.55

Polar Surface Area

82.886

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

5591-2597 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5591-2597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2597?
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What is the minimum amount of 5591-2597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2597
  • 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 5591-2597 available by request