E582-0197 Screening compound: N-(3-fluorophenyl)-4-hydroxy-3-(4-methoxybenzenesulfonyl)-2-oxo-1,2-dihydroquinoline-7-carboxamide

E582-0197 Screening compound: N-(3-fluorophenyl)-4-hydroxy-3-(4-methoxybenzenesulfonyl)-2-oxo-1,2-dihydroquinoline-7-carboxamide
E582-0197 Screening compound: N-(3-fluorophenyl)-4-hydroxy-3-(4-methoxybenzenesulfonyl)-2-oxo-1,2-dihydroquinoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E582-0197
N-(3-fluorophenyl)-4-hydroxy-3-(4-methoxybenzenesulfonyl)-2-oxo-1,2-dihydroquinoline-7-carboxamide

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

E582-0197

Molecular Formula

C23H17FN2O6S (C23 H17 FN2 O6 S)

Compound Name

N-(3-fluorophenyl)-4-hydroxy-3-(4-methoxybenzenesulfonyl)-2-oxo-1,2-dihydroquinoline-7-carboxamide

IUPAC name

N-(3-fluorophenyl)-4-hydroxy-3-(4-methoxybenzenesulfonyl)-2-oxo-12-dihydroquinoline-7-carboxamide

SMILES

COc(cc1)ccc1S(C(C(Nc1c2ccc(C(Nc3cc(F)ccc3)=O)c1)=O)=C2O)(=O)=O

InChI

InChI=1S/C23H17FN2O6S/c1-32-16-6-8-17(9-7-16)33(30,31)21-20(27)18-10-5-13(11-19(18)26-23(21)29)22(28)25-15-4-2-3-14(24)12-15/h2-12H,1H3,(H,25,28)(H2,26,27,29)

InChI Key

SKTOASZASKVFOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

-1.124

Water Solubility, LogSw

-3.69

Polar Surface Area

100.323

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

E582-0197 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E582-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E582-0197?
Check Price and Availability of E582-0197, 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 E582-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E582-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E582-0197
  • 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 E582-0197 available by request