0159-0084 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

0159-0084 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
0159-0084 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0159-0084
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

0159-0084

Molecular Formula

C10H10O3 (C10 H10 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3

InChI Key

HGVWMTAIIYNQSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00006823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.692

Distribution Coefficient, logD

0.692

Water Solubility, LogSw

-1.57

Polar Surface Area

29.888

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0159-0084 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0159-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0159-0084?
Check Price and Availability of 0159-0084, 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 0159-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0159-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0159-0084
  • 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 0159-0084 available by request