S339-0354 Screening compound: (2-chlorophenyl){4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}methanone

S339-0354 Screening compound: (2-chlorophenyl){4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}methanone
S339-0354 Screening compound: (2-chlorophenyl){4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-0354
(2-chlorophenyl){4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}methanone

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

S339-0354

Molecular Formula

C18H22ClN3O2 (C18 H22 ClN3 O2)

Compound Name

(2-chlorophenyl){4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidino}methanone

IUPAC name

1-(2-chlorobenzoyl)-4-{[3-(propan-2-yl)-124-oxadiazol-5-yl]methyl}piperidine

SMILES

CC(C)c1noc(CC(CC2)CCN2C(c(cccc2)c2Cl)=O)n1

InChI

InChI=1S/C18H22ClN3O2/c1-12(2)17-20-16(24-21-17)11-13-7-9-22(10-8-13)18(23)14-5-3-4-6-15(14)19/h3-6,12-13H,7-11H2,1-2H3

InChI Key

LUCNURZAFJANTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.26

Polar Surface Area

48.230

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S339-0354 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S339-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0354?
Check Price and Availability of S339-0354, 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 S339-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-0354
  • 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 S339-0354 available by request