5591-2380 Screening compound: methyl 2-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate

5591-2380 Screening compound: methyl 2-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate
5591-2380 Screening compound: methyl 2-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2380
methyl 2-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)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

5591-2380

Molecular Formula

C26H22N2O5S (C26 H22 N2 O5 S)

Compound Name

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

IUPAC name

methyl 2-{[(4Z)-4-[(24-dimethylbenzenesulfonyl)imino]-1-oxo-14-dihydronaphthalen-2-yl]amino}benzoate

SMILES

Cc(cc1)cc(C)c1S(/N=C(/C=C1Nc(cccc2)c2C(OC)=O)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C26H22N2O5S/c1-16-12-13-24(17(2)14-16)34(31,32)28-22-15-23(25(29)19-9-5-4-8-18(19)22)27-21-11-7-6-10-20(21)26(30)33-3/h4-15,27H,1-3H3

InChI Key

IRTXPKCYQRNATD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.406

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.37

Polar Surface Area

82.608

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

5591-2380 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 5591-2380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2380?
Check Price and Availability of 5591-2380, 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 5591-2380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2380
  • 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 5591-2380 available by request