S595-0530 Screening compound: 5-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2-methoxypyridine

S595-0530 Screening compound: 5-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2-methoxypyridine
S595-0530 Screening compound: 5-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2-methoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-0530
5-(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2-methoxypyridine

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

S595-0530

Molecular Formula

C21H21FN4O4 (C21 H21 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ncc1C(N(CCCC1)C1c1noc(COc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C21H21FN4O4/c1-28-18-10-5-14(12-23-18)21(27)26-11-3-2-4-17(26)20-24-19(30-25-20)13-29-16-8-6-15(22)7-9-16/h5-10,12,17H,2-4,11,13H2,1H3/t17-/m0/s1

InChI Key

GLIMXCIIBPNZQY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31963463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.22

Polar Surface Area

71.733

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S595-0530 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S595-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-0530?
Check Price and Availability of S595-0530, 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 S595-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-0530
  • 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 S595-0530 available by request