C054-0381 Screening compound: N-(3-chloro-4-methoxyphenyl)-8-ethoxyquinoline-5-sulfonamide

C054-0381 Screening compound: N-(3-chloro-4-methoxyphenyl)-8-ethoxyquinoline-5-sulfonamide
C054-0381 Screening compound: N-(3-chloro-4-methoxyphenyl)-8-ethoxyquinoline-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C054-0381
N-(3-chloro-4-methoxyphenyl)-8-ethoxyquinoline-5-sulfonamide

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

C054-0381

Molecular Formula

C18H17ClN2O4S (C18 H17 ClN2 O4 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-8-ethoxyquinoline-5-sulfonamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-8-ethoxyquinoline-5-sulfonamide

SMILES

CCOc(c1ncccc11)ccc1S(Nc(cc1)cc(Cl)c1OC)(=O)=O

InChI

InChI=1S/C18H17ClN2O4S/c1-3-25-16-8-9-17(13-5-4-10-20-18(13)16)26(22,23)21-12-6-7-15(24-2)14(19)11-12/h4-11,21H,3H2,1-2H3

InChI Key

UHHDMVZUOCTVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-4.28

Polar Surface Area

65.262

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C054-0381 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C054-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C054-0381?
Check Price and Availability of C054-0381, 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 C054-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C054-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C054-0381
  • 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 C054-0381 available by request