8012-9626 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethan-1-one

8012-9626 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethan-1-one
8012-9626 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9626
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)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

8012-9626

Molecular Formula

C11H13NO3 (C11 H13 NO3)

Compound Name

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

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-2-(methylamino)ethan-1-one

SMILES

CNCC(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C11H13NO3/c1-12-7-9(13)8-2-3-10-11(6-8)15-5-4-14-10/h2-3,6,12H,4-5,7H2,1H3

InChI Key

TUENQQBNTUTZPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307829

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

207.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.046

Distribution Coefficient, logD

-0.234

Water Solubility, LogSw

-1.76

Polar Surface Area

41.283

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8012-9626 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-9626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9626?
Check Price and Availability of 8012-9626, 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 8012-9626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9626
  • 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 8012-9626 available by request