S595-0576 Screening compound: 2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

S595-0576 Screening compound: 2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine
S595-0576 Screening compound: 2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-0576
2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

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

S595-0576

Molecular Formula

C21H22FN3O4S (C21 H22 FN3 O4 S)

Compound Name

2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

IUPAC name

2-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

SMILES

O=S(Cc1ccccc1)(N(CCCC1)C1c1noc(COc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C21H22FN3O4S/c22-17-9-11-18(12-10-17)28-14-20-23-21(24-29-20)19-8-4-5-13-25(19)30(26,27)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19H,4-5,8,13-15H2/t19-/m0/s1

InChI Key

OJSZMBVMZASPBU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31986859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-3.65

Polar Surface Area

70.885

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S595-0576 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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 S595-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-0576?
Check Price and Availability of S595-0576, 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 S595-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-0576
  • 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 S595-0576 available by request