R092-0046 Screening compound: 1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one

R092-0046 Screening compound: 1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one
R092-0046 Screening compound: 1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound R092-0046
1-(6-amino-2H-1,3-benzodioxol-5-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

R092-0046

Molecular Formula

C9H9NO3 (C9 H9 NO3)

Compound Name

1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one

IUPAC name

1-(6-amino-2H-13-benzodioxol-5-yl)ethan-1-one

SMILES

CC(c(cc1OCOc1c1)c1N)=O

InChI

InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3

InChI Key

DWTHYSZSRJOMSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00075855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.636

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-1.87

Polar Surface Area

51.277

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

R092-0046 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with R092-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R092-0046?
Check Price and Availability of R092-0046, 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 R092-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R092-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R092-0046
  • 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 R092-0046 available by request