K780-1097 Screening compound: 2,3-dimethyl 1-benzothiophene-2,3-dicarboxylate

K780-1097 Screening compound: 2,3-dimethyl 1-benzothiophene-2,3-dicarboxylate
K780-1097 Screening compound: 2,3-dimethyl 1-benzothiophene-2,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-1097
2,3-dimethyl 1-benzothiophene-2,3-dicarboxylate

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

K780-1097

Molecular Formula

C12H10O4S (C12 H10 O4 S)

Compound Name

2,3-dimethyl 1-benzothiophene-2,3-dicarboxylate

IUPAC name

23-dimethyl 1-benzothiophene-23-dicarboxylate

SMILES

COC(c1c(C(OC)=O)sc2c1cccc2)=O

InChI

InChI=1S/C12H10O4S/c1-15-11(13)9-7-5-3-4-6-8(7)17-10(9)12(14)16-2/h3-6H,1-2H3

InChI Key

HBPKHFSEFDBUQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00663602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.04

Polar Surface Area

43.333

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K780-1097 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K780-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-1097?
Check Price and Availability of K780-1097, 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 K780-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-1097
  • 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 K780-1097 available by request