7687-0002 Screening compound: 2-[(4-fluorophenyl)amino]-3-(piperidin-1-yl)-1,4-dihydronaphthalene-1,4-dione

7687-0002 Screening compound: 2-[(4-fluorophenyl)amino]-3-(piperidin-1-yl)-1,4-dihydronaphthalene-1,4-dione
7687-0002 Screening compound: 2-[(4-fluorophenyl)amino]-3-(piperidin-1-yl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7687-0002
2-[(4-fluorophenyl)amino]-3-(piperidin-1-yl)-1,4-dihydronaphthalene-1,4-dione

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

7687-0002

Molecular Formula

C21H19FN2O2 (C21 H19 FN2 O2)

Compound Name

2-[(4-fluorophenyl)amino]-3-(piperidin-1-yl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-[(4-fluorophenyl)amino]-3-(piperidin-1-yl)-14-dihydronaphthalene-14-dione

SMILES

O=C(c(cccc1)c1C1=O)C(Nc(cc2)ccc2F)=C1N1CCCCC1

InChI

InChI=1S/C21H19FN2O2/c22-14-8-10-15(11-9-14)23-18-19(24-12-4-1-5-13-24)21(26)17-7-3-2-6-16(17)20(18)25/h2-3,6-11,23H,1,4-5,12-13H2

InChI Key

YQKVOYONBOZIHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02141823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-4.29

Polar Surface Area

38.934

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

7687-0002 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7687-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7687-0002?
Check Price and Availability of 7687-0002, 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 7687-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7687-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7687-0002
  • 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 7687-0002 available by request