8020-5060 Screening compound: 2,2-dichloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

8020-5060 Screening compound: 2,2-dichloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
8020-5060 Screening compound: 2,2-dichloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5060
2,2-dichloro-1-(2,3-dihydro-1,4-benzodioxin-6-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

8020-5060

Molecular Formula

C10H8Cl2O3 (C10 H8 Cl2 O3)

Compound Name

2,2-dichloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

IUPAC name

22-dichloro-1-(23-dihydro-14-benzodioxin-6-yl)ethan-1-one

SMILES

O=C(C(Cl)Cl)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C10H8Cl2O3/c11-10(12)9(13)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,10H,3-4H2

InChI Key

FTVGPRBYUWPNSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17011093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

1.805

Water Solubility, LogSw

-2.07

Polar Surface Area

29.800

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8020-5060 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 8020-5060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5060?
Check Price and Availability of 8020-5060, 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 8020-5060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5060
  • 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 8020-5060 available by request