5773-0062 Screening compound: 1-(4-chlorophenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

5773-0062 Screening compound: 1-(4-chlorophenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
5773-0062 Screening compound: 1-(4-chlorophenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5773-0062
1-(4-chlorophenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-1,2,5,6,7,8-hexahydroquinoline-3-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

5773-0062

Molecular Formula

C22H18ClN3O5S (C22 H18 ClN3 O5 S)

Compound Name

1-(4-chlorophenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

1-(4-chlorophenyl)-25-dioxo-N-(4-sulfamoylphenyl)-125678-hexahydroquinoline-3-carboxamide

SMILES

NS(c(cc1)ccc1NC(C1=CC(C(CCC2)=O)=C2N(c(cc2)ccc2Cl)C1=O)=O)(=O)=O

InChI

InChI=1S/C22H18ClN3O5S/c23-13-4-8-15(9-5-13)26-19-2-1-3-20(27)17(19)12-18(22(26)29)21(28)25-14-6-10-16(11-7-14)32(24,30)31/h4-12H,1-3H2,(H,25,28)(H2,24,30,31)

InChI Key

OVXHYXFQRPDULG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04000021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.171

Water Solubility, LogSw

-2.84

Polar Surface Area

102.274

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5773-0062 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5773-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5773-0062?
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What is the minimum amount of 5773-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5773-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5773-0062
  • 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 5773-0062 available by request