5591-2594 Screening compound: ethyl 4-{[(4Z)-4-[(4-fluorobenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate

5591-2594 Screening compound: ethyl 4-{[(4Z)-4-[(4-fluorobenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate
5591-2594 Screening compound: ethyl 4-{[(4Z)-4-[(4-fluorobenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2594
ethyl 4-{[(4Z)-4-[(4-fluorobenzenesulfonyl)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

5591-2594

Molecular Formula

C25H19FN2O5S (C25 H19 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C25H19FN2O5S/c1-2-33-25(30)16-7-11-18(12-8-16)27-23-15-22(20-5-3-4-6-21(20)24(23)29)28-34(31,32)19-13-9-17(26)10-14-19/h3-15,27H,2H2,1H3

InChI Key

LOUNONMDDZESLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.28

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

8.00

5591-2594 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 5591-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2594?
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What is the minimum amount of 5591-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2594
  • 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 5591-2594 available by request