G520-0076 Screening compound: ethyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate

G520-0076 Screening compound: ethyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate
G520-0076 Screening compound: ethyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G520-0076
ethyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate

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

G520-0076

Molecular Formula

C20H17NO3S2 (C20 H17 NO3 S2)

Compound Name

ethyl 2-[(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-ylcarbonyl)amino]benzoate

IUPAC name

ethyl 2-{310-dithiatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene-4-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(c1cc(CCc2c-3ccs2)c3s1)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.506

Distribution Coefficient, logD

5.494

Water Solubility, LogSw

-5.42

Polar Surface Area

45.071

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G520-0076 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G520-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G520-0076?
Check Price and Availability of G520-0076, 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 G520-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G520-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G520-0076
  • 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 G520-0076 available by request