8012-9480 Screening compound: 3-chloro-2-(2-chloroethyl)-6-fluoro-1H-1-benzothiophene-1,1-dione

8012-9480 Screening compound: 3-chloro-2-(2-chloroethyl)-6-fluoro-1H-1-benzothiophene-1,1-dione
8012-9480 Screening compound: 3-chloro-2-(2-chloroethyl)-6-fluoro-1H-1-benzothiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9480
3-chloro-2-(2-chloroethyl)-6-fluoro-1H-1-benzothiophene-1,1-dione

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

8012-9480

Molecular Formula

C10H7Cl2FO2S (C10 H7 Cl2 FO2 S)

Compound Name

3-chloro-2-(2-chloroethyl)-6-fluoro-1H-1-benzothiophene-1,1-dione

IUPAC name

3-chloro-2-(2-chloroethyl)-6-fluoro-1lambda6-benzothiophene-11-dione

SMILES

O=S1(c(cc(cc2)F)c2C(Cl)=C1CCCl)=O

InChI

InChI=1S/C10H7Cl2FO2S/c11-4-3-8-10(12)7-2-1-6(13)5-9(7)16(8,14)15/h1-2,5H,3-4H2

InChI Key

YICFPQNTACEOLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.48

Polar Surface Area

29.505

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8012-9480 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-9480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9480?
Check Price and Availability of 8012-9480, 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 8012-9480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9480
  • 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 8012-9480 available by request