8019-8614 Screening compound: ethyl 3-(dimethylamino)-1,1-dioxo-1H-1-benzothiophene-2-carboxylate

8019-8614 Screening compound: ethyl 3-(dimethylamino)-1,1-dioxo-1H-1-benzothiophene-2-carboxylate
8019-8614 Screening compound: ethyl 3-(dimethylamino)-1,1-dioxo-1H-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8614
ethyl 3-(dimethylamino)-1,1-dioxo-1H-1-benzothiophene-2-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

8019-8614

Molecular Formula

C13H15NO4S (C13 H15 NO4 S)

Compound Name

ethyl 3-(dimethylamino)-1,1-dioxo-1H-1-benzothiophene-2-carboxylate

IUPAC name

ethyl 3-(dimethylamino)-11-dioxo-1lambda6-benzothiophene-2-carboxylate

SMILES

CCOC(C(S(c1c2cccc1)(=O)=O)=C2N(C)C)=O

InChI

InChI=1S/C13H15NO4S/c1-4-18-13(15)12-11(14(2)3)9-7-5-6-8-10(9)19(12,16)17/h5-8H,4H2,1-3H3

InChI Key

FUENMBZFBMEZEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09743335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.536

Distribution Coefficient, logD

1.536

Water Solubility, LogSw

-2.40

Polar Surface Area

52.982

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8019-8614 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-8614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8614?
Check Price and Availability of 8019-8614, 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 8019-8614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8614
  • 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 8019-8614 available by request