7884-6568 Screening compound: benzyl 3-chloro-1-benzothiophene-2-carboxylate

7884-6568 Screening compound: benzyl 3-chloro-1-benzothiophene-2-carboxylate
7884-6568 Screening compound: benzyl 3-chloro-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7884-6568
benzyl 3-chloro-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

7884-6568

Molecular Formula

C16H11ClO2S (C16 H11 ClO2 S)

Compound Name

benzyl 3-chloro-1-benzothiophene-2-carboxylate

IUPAC name

benzyl 3-chloro-1-benzothiophene-2-carboxylate

SMILES

O=C(c(sc1c2cccc1)c2Cl)OCc1ccccc1

InChI

InChI=1S/C16H11ClO2S/c17-14-12-8-4-5-9-13(12)20-15(14)16(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2

InChI Key

CDBGTRUDPLENPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00795400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-5.39

Polar Surface Area

21.843

Acid Dissociation Constant (pKa)

30.56

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

7884-6568 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7884-6568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7884-6568?
Check Price and Availability of 7884-6568, 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 7884-6568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7884-6568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7884-6568
  • 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 7884-6568 available by request