C519-0685 Screening compound: 6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

C519-0685 Screening compound: 6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
C519-0685 Screening compound: 6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-0685
6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-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

C519-0685

Molecular Formula

C27H33N3O4S (C27 H33 N3 O4 S)

Compound Name

6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

Cc1ccc(CCNC(C2=CN(C)c(ccc(S(N(C)C3CCCCC3)(=O)=O)c3)c3C2=O)=O)cc1

InChI

InChI=1S/C27H33N3O4S/c1-19-9-11-20(12-10-19)15-16-28-27(32)24-18-29(2)25-14-13-22(17-23(25)26(24)31)35(33,34)30(3)21-7-5-4-6-8-21/h9-14,17-18,21H,4-8,15-16H2,1-3H3,(H,28,32)

InChI Key

OMTWYFROYBANRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-4.00

Polar Surface Area

72.458

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C519-0685 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C519-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-0685?
Check Price and Availability of C519-0685, 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 C519-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-0685
  • 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 C519-0685 available by request