S594-0213 Screening compound: 4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-1-(2,5-difluorobenzoyl)piperidine

S594-0213 Screening compound: 4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-1-(2,5-difluorobenzoyl)piperidine
S594-0213 Screening compound: 4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-1-(2,5-difluorobenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0213
4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-1-(2,5-difluorobenzoyl)piperidine

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

S594-0213

Molecular Formula

C22H21F2N3O3 (C22 H21 F2 N3 O3)

Compound Name

4-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-1-(2,5-difluorobenzoyl)piperidine

IUPAC name

4-{5-[(benzyloxy)methyl]-124-oxadiazol-3-yl}-1-(25-difluorobenzoyl)piperidine

SMILES

O=C(c(cc(cc1)F)c1F)N(CC1)CCC1c1noc(COCc2ccccc2)n1

InChI

InChI=1S/C22H21F2N3O3/c23-17-6-7-19(24)18(12-17)22(28)27-10-8-16(9-11-27)21-25-20(30-26-21)14-29-13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2

InChI Key

WAAVTWKVVFBTKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31962856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-3.97

Polar Surface Area

56.392

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

S594-0213 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S594-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0213?
Check Price and Availability of S594-0213, 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 S594-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0213
  • 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 S594-0213 available by request