C166-0440 Screening compound: N-(4-ethoxyphenyl)-4-(thiophene-2-sulfonamido)benzamide

C166-0440 Screening compound: N-(4-ethoxyphenyl)-4-(thiophene-2-sulfonamido)benzamide
C166-0440 Screening compound: N-(4-ethoxyphenyl)-4-(thiophene-2-sulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C166-0440
N-(4-ethoxyphenyl)-4-(thiophene-2-sulfonamido)benzamide

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

C166-0440

Molecular Formula

C19H18N2O4S2 (C19 H18 N2 O4 S2)

Compound Name

N-(4-ethoxyphenyl)-4-(thiophene-2-sulfonamido)benzamide

IUPAC name

N-(4-ethoxyphenyl)-4-(thiophene-2-sulfonamido)benzamide

SMILES

CCOc(cc1)ccc1NC(c(cc1)ccc1NS(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C19H18N2O4S2/c1-2-25-17-11-9-15(10-12-17)20-19(22)14-5-7-16(8-6-14)21-27(23,24)18-4-3-13-26-18/h3-13,21H,2H2,1H3,(H,20,22)

InChI Key

VKMQOWHCFMGGIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08864106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.97

Polar Surface Area

72.121

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C166-0440 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C166-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C166-0440?
Check Price and Availability of C166-0440, 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 C166-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C166-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C166-0440
  • 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 C166-0440 available by request