G520-0044 Screening compound: 3,4-dihydro-1(2H)-quinolinyl(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-yl)methanone

G520-0044 Screening compound: 3,4-dihydro-1(2H)-quinolinyl(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-yl)methanone
G520-0044 Screening compound: 3,4-dihydro-1(2H)-quinolinyl(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound G520-0044
3,4-dihydro-1(2H)-quinolinyl(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-yl)methanone

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

G520-0044

Molecular Formula

C20H17NOS2 (C20 H17 NOS2)

Compound Name

3,4-dihydro-1(2H)-quinolinyl(4,5-dihydrothieno[2,3-e][1]benzothiophen-2-yl)methanone

IUPAC name

1-{310-dithiatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene-4-carbonyl}-1234-tetrahydroquinoline

SMILES

O=C(c1cc(CCc2c-3ccs2)c3s1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C20H17NOS2/c22-20(21-10-3-5-13-4-1-2-6-16(13)21)18-12-14-7-8-17-15(9-11-23-17)19(14)24-18/h1-2,4,6,9,11-12H,3,5,7-8,10H2

InChI Key

ACVFFNBBJAHBJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.566

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.78

Polar Surface Area

17.237

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G520-0044 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G520-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G520-0044?
Check Price and Availability of G520-0044, 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 G520-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G520-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G520-0044
  • 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 G520-0044 available by request