6079-1865 Screening compound: methyl thieno[3,2-b][1]benzothiophene-2-carboxylate

6079-1865 Screening compound: methyl thieno[3,2-b][1]benzothiophene-2-carboxylate
6079-1865 Screening compound: methyl thieno[3,2-b][1]benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6079-1865
methyl thieno[3,2-b][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

6079-1865

Molecular Formula

C12H8O2S2 (C12 H8 O2 S2)

Compound Name

methyl thieno[3,2-b][1]benzothiophene-2-carboxylate

IUPAC name

methyl 37-dithiatricyclo[6.4.0.0^{26}]dodeca-1(12)2(6)4810-pentaene-4-carboxylate

SMILES

COC(c1cc(sc2c3cccc2)c3s1)=O

InChI

InChI=1S/C12H8O2S2/c1-14-12(13)10-6-9-11(16-10)7-4-2-3-5-8(7)15-9/h2-6H,1H3

InChI Key

ZTNHIQCMPZAZBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03686512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.47

Polar Surface Area

22.906

Acid Dissociation Constant (pKa)

34.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6079-1865 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6079-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6079-1865?
Check Price and Availability of 6079-1865, 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 6079-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6079-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6079-1865
  • 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 6079-1865 available by request