F235-0858 Screening compound: ethyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate

F235-0858 Screening compound: ethyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
F235-0858 Screening compound: ethyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-0858
ethyl 3-chloro-6-nitro-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

F235-0858

Molecular Formula

C11H8ClNO4S (C11 H8 ClNO4 S)

Compound Name

ethyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate

IUPAC name

ethyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate

SMILES

CCOC(c(sc1c2ccc([N+]([O-])=O)c1)c2Cl)=O

InChI

InChI=1S/C11H8ClNO4S/c1-2-17-11(14)10-9(12)7-4-3-6(13(15)16)5-8(7)18-10/h3-5H,2H2,1H3

InChI Key

RMXOKWDCOUZLTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01335903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.71

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

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.68

Polar Surface Area

55.120

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F235-0858 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F235-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-0858?
Check Price and Availability of F235-0858, 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 F235-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-0858
  • 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 F235-0858 available by request