S425-0628 Screening compound: 1-{4-[2-(4-fluorophenoxy)ethoxy]piperidin-1-yl}-3-methylbutan-1-one

S425-0628 Screening compound: 1-{4-[2-(4-fluorophenoxy)ethoxy]piperidin-1-yl}-3-methylbutan-1-one
S425-0628 Screening compound: 1-{4-[2-(4-fluorophenoxy)ethoxy]piperidin-1-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0628
1-{4-[2-(4-fluorophenoxy)ethoxy]piperidin-1-yl}-3-methylbutan-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

S425-0628

Molecular Formula

C18H26FNO3 (C18 H26 FNO3)

Compound Name

1-{4-[2-(4-fluorophenoxy)ethoxy]piperidin-1-yl}-3-methylbutan-1-one

IUPAC name

1-{4-[2-(4-fluorophenoxy)ethoxy]piperidin-1-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N(CC1)CCC1OCCOc(cc1)ccc1F)=O

InChI

InChI=1S/C18H26FNO3/c1-14(2)13-18(21)20-9-7-17(8-10-20)23-12-11-22-16-5-3-15(19)4-6-16/h3-6,14,17H,7-13H2,1-2H3

InChI Key

HTDLDOMVHZSDIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31974112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.09

Polar Surface Area

30.709

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S425-0628 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S425-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0628?
Check Price and Availability of S425-0628, 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 S425-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0628
  • 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 S425-0628 available by request