1666-0005 Screening compound: 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one

1666-0005 Screening compound: 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one
1666-0005 Screening compound: 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1666-0005
2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one

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

1666-0005

Molecular Formula

C6H3Cl3OS (C6 H3 Cl3 OS)

Compound Name

2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one

IUPAC name

2-chloro-1-(25-dichlorothiophen-3-yl)ethan-1-one

SMILES

O=C(CCl)c(cc(s1)Cl)c1Cl

InChI

InChI=1S/C6H3Cl3OS/c7-2-4(10)3-1-5(8)11-6(3)9/h1H,2H2

InChI Key

JZKWVEHRDTWYBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01084557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.30

Polar Surface Area

14.504

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1666-0005 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1666-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1666-0005?
Check Price and Availability of 1666-0005, 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 1666-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1666-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1666-0005
  • 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 1666-0005 available by request