S212-0589 Screening compound: 1-(3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one

S212-0589 Screening compound: 1-(3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one
S212-0589 Screening compound: 1-(3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-0589
1-(3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}piperidin-1-yl)-2-(thiophen-3-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

S212-0589

Molecular Formula

C17H23N3O3S (C17 H23 N3 O3 S)

Compound Name

1-(3-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one

IUPAC name

1-(3-{[3-(propan-2-yl)-124-oxadiazol-5-yl]methoxy}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one

SMILES

CC(C)c1noc(COC(CCC2)CN2C(Cc2cscc2)=O)n1

InChI

InChI=1S/C17H23N3O3S/c1-12(2)17-18-15(23-19-17)10-22-14-4-3-6-20(9-14)16(21)8-13-5-7-24-11-13/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3/t14-/m0/s1

InChI Key

BZLBGBCVOBHKFT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27617661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.45

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

2.597

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-2.76

Polar Surface Area

55.667

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

S212-0589 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S212-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-0589?
Check Price and Availability of S212-0589, 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 S212-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-0589
  • 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 S212-0589 available by request