7012-0253 Screening compound: 1-{1-[2-(4-fluorophenoxy)ethyl]-1H-indol-3-yl}ethan-1-one

7012-0253 Screening compound: 1-{1-[2-(4-fluorophenoxy)ethyl]-1H-indol-3-yl}ethan-1-one
7012-0253 Screening compound: 1-{1-[2-(4-fluorophenoxy)ethyl]-1H-indol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7012-0253
1-{1-[2-(4-fluorophenoxy)ethyl]-1H-indol-3-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

7012-0253

Molecular Formula

C18H16FNO2 (C18 H16 FNO2)

Compound Name

1-{1-[2-(4-fluorophenoxy)ethyl]-1H-indol-3-yl}ethan-1-one

IUPAC name

n/a

SMILES

CC(c1cn(CCOc(cc2)ccc2F)c2c1cccc2)=O

InChI

InChI=1S/C18H16FNO2/c1-13(21)17-12-20(18-5-3-2-4-16(17)18)10-11-22-15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3

InChI Key

GYISCUNHPINNTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-3.74

Polar Surface Area

23.193

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7012-0253 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7012-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7012-0253?
Check Price and Availability of 7012-0253, 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 7012-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7012-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7012-0253
  • 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 7012-0253 available by request