S595-0417 Screening compound: 2-(3-methylphenoxy)-1-(2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)ethan-1-one

S595-0417 Screening compound: 2-(3-methylphenoxy)-1-(2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)ethan-1-one
S595-0417 Screening compound: 2-(3-methylphenoxy)-1-(2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-0417
2-(3-methylphenoxy)-1-(2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-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

S595-0417

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

2-(3-methylphenoxy)-1-(2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(3-methylphenoxy)-1-(2-{5-[(4-methylphenoxy)methyl]-124-oxadiazol-3-yl}piperidin-1-yl)ethan-1-one

SMILES

Cc(cc1)ccc1OCc1nc(C(CCCC2)N2C(COc2cc(C)ccc2)=O)no1

InChI

InChI=1S/C24H27N3O4/c1-17-9-11-19(12-10-17)29-15-22-25-24(26-31-22)21-8-3-4-13-27(21)23(28)16-30-20-7-5-6-18(2)14-20/h5-7,9-12,14,21H,3-4,8,13,15-16H2,1-2H3/t21-/m0/s1

InChI Key

FYPMQRVKPAYKJW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31993227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.34

Polar Surface Area

62.123

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S595-0417 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S595-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-0417?
Check Price and Availability of S595-0417, 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 S595-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-0417
  • 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 S595-0417 available by request