G856-0680 Screening compound: methyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate

G856-0680 Screening compound: methyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate
G856-0680 Screening compound: methyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0680
methyl 3-chloro-6-methoxy-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

G856-0680

Molecular Formula

C11H9ClO3S (C11 H9 ClO3 S)

Compound Name

methyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate

SMILES

COC(c(sc1c2ccc(OC)c1)c2Cl)=O

InChI

InChI=1S/C11H9ClO3S/c1-14-6-3-4-7-8(5-6)16-10(9(7)12)11(13)15-2/h3-5H,1-2H3

InChI Key

ATKSLUFVEFYPFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00620636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.49

Polar Surface Area

29.703

Acid Dissociation Constant (pKa)

32.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G856-0680 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0680?
Check Price and Availability of G856-0680, 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 G856-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0680
  • 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 G856-0680 available by request