G520-0166 Screening compound: N~2~-(2-ethoxybenzyl)-4,5-dihydrothieno[2,3-e][1]benzothiophene-2-carboxamide

G520-0166 Screening compound: N~2~-(2-ethoxybenzyl)-4,5-dihydrothieno[2,3-e][1]benzothiophene-2-carboxamide
G520-0166 Screening compound: N~2~-(2-ethoxybenzyl)-4,5-dihydrothieno[2,3-e][1]benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G520-0166
N~2~-(2-ethoxybenzyl)-4,5-dihydrothieno[2,3-e][1]benzothiophene-2-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

G520-0166

Molecular Formula

C20H19NO2S2 (C20 H19 NO2 S2)

Compound Name

N~2~-(2-ethoxybenzyl)-4,5-dihydrothieno[2,3-e][1]benzothiophene-2-carboxamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-310-dithiatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene-4-carboxamide

SMILES

CCOc1c(CNC(c2cc(CCc3c-4ccs3)c4s2)=O)cccc1

InChI

InChI=1S/C20H19NO2S2/c1-2-23-16-6-4-3-5-14(16)12-21-20(22)18-11-13-7-8-17-15(9-10-24-17)19(13)25-18/h3-6,9-11H,2,7-8,12H2,1H3,(H,21,22)

InChI Key

SSWCYKYDABFQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

5.237

Water Solubility, LogSw

-5.02

Polar Surface Area

33.548

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G520-0166 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G520-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G520-0166?
Check Price and Availability of G520-0166, 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 G520-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G520-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G520-0166
  • 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 G520-0166 available by request