0085-0020 Screening compound: 1-(3-amino-1-benzofuran-2-yl)-1-ethanone

0085-0020 Screening compound: 1-(3-amino-1-benzofuran-2-yl)-1-ethanone
0085-0020 Screening compound: 1-(3-amino-1-benzofuran-2-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0085-0020
1-(3-amino-1-benzofuran-2-yl)-1-ethanone

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

0085-0020

Molecular Formula

C10H9NO2 (C10 H9 NO2)

Compound Name

1-(3-amino-1-benzofuran-2-yl)-1-ethanone

IUPAC name

1-(3-amino-1-benzofuran-2-yl)ethan-1-one

SMILES

CC(c(oc1c2cccc1)c2N)=O

InChI

InChI=1S/C10H9NO2/c1-6(12)10-9(11)7-4-2-3-5-8(7)13-10/h2-5H,11H2,1H3

InChI Key

NNQBNOWMBVHDMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

175.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.971

Distribution Coefficient, logD

1.971

Water Solubility, LogSw

-2.18

Polar Surface Area

41.977

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0085-0020 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0085-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0085-0020?
Check Price and Availability of 0085-0020, 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 0085-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0085-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0085-0020
  • 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 0085-0020 available by request