E582-0035 Screening compound: 4-hydroxy-3-(4-methoxybenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-1,2-dihydroquinoline-7-carboxamide

E582-0035 Screening compound: 4-hydroxy-3-(4-methoxybenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-1,2-dihydroquinoline-7-carboxamide
E582-0035 Screening compound: 4-hydroxy-3-(4-methoxybenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-1,2-dihydroquinoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E582-0035
4-hydroxy-3-(4-methoxybenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-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

E582-0035

Molecular Formula

C25H22N2O7S (C25 H22 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(c(cc2)cc(NC3=O)c2C(O)=C3S(c(cc2)ccc2OC)(=O)=O)=O)cc1

InChI

InChI=1S/C25H22N2O7S/c1-33-17-6-3-15(4-7-17)14-26-24(29)16-5-12-20-21(13-16)27-25(30)23(22(20)28)35(31,32)19-10-8-18(34-2)9-11-19/h3-13H,14H2,1-2H3,(H,26,29)(H2,27,28,30)

InChI Key

ZFKXDUJBFGRYEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

-1.629

Water Solubility, LogSw

-3.06

Polar Surface Area

109.189

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with E582-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E582-0035?
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What is the minimum amount of E582-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E582-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E582-0035
  • 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 E582-0035 available by request