E582-0069 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-7-carboxamide

E582-0069 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-7-carboxamide
E582-0069 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E582-0069
3-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-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

E582-0069

Molecular Formula

C23H16ClFN2O5S (C23 H16 ClFN2 O5 S)

Compound Name

3-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-7-carboxamide

IUPAC name

3-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-12-dihydroquinoline-7-carboxamide

SMILES

OC(c(ccc(C(NCc(cc1)ccc1F)=O)c1)c1NC1=O)=C1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C23H16ClFN2O5S/c24-15-4-8-17(9-5-15)33(31,32)21-20(28)18-10-3-14(11-19(18)27-23(21)30)22(29)26-12-13-1-6-16(25)7-2-13/h1-11H,12H2,(H,26,29)(H2,27,28,30)

InChI Key

UPXXGGMXIPLGPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

-0.970

Water Solubility, LogSw

-3.67

Polar Surface Area

94.101

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with E582-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E582-0069?
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What is the minimum amount of E582-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E582-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E582-0069
  • 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 E582-0069 available by request