2026-4027 Screening compound: ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2026-4027 Screening compound: ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2026-4027 Screening compound: ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2026-4027
ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

2026-4027

Molecular Formula

C20H22N2O6S (C20 H22 N2 O6 S)

Compound Name

ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(4-ethoxy-3-nitrobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc([N+]([O-])=O)c2OCC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H22N2O6S/c1-3-27-15-10-9-12(11-14(15)22(25)26)18(23)21-19-17(20(24)28-4-2)13-7-5-6-8-16(13)29-19/h9-11H,3-8H2,1-2H3,(H,21,23)

InChI Key

GKDZPTOSKXINSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01144771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

-0.367

Water Solubility, LogSw

-4.45

Polar Surface Area

84.089

Acid Dissociation Constant (pKa)

2.93

Base Dissociation Constant (pKb)

-7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

2026-4027 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2026-4027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2026-4027?
Check Price and Availability of 2026-4027, 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 2026-4027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2026-4027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2026-4027
  • 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 2026-4027 available by request