S211-1301 Screening compound: (4-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)(tetrahydro-2-furanyl)methanone

S211-1301 Screening compound: (4-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)(tetrahydro-2-furanyl)methanone
S211-1301 Screening compound: (4-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)(tetrahydro-2-furanyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S211-1301
(4-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)(tetrahydro-2-furanyl)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

S211-1301

Molecular Formula

C17H21N5O4 (C17 H21 N5 O4)

Compound Name

(4-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)(tetrahydro-2-furanyl)methanone

IUPAC name

2-[5-({[1-(oxolane-2-carbonyl)piperidin-4-yl]oxy}methyl)-124-oxadiazol-3-yl]pyrazine

SMILES

O=C(C1OCCC1)N(CC1)CCC1OCc1nc(-c2nccnc2)no1

InChI

InChI=1S/C17H21N5O4/c23-17(14-2-1-9-24-14)22-7-3-12(4-8-22)25-11-15-20-16(21-26-15)13-10-18-5-6-19-13/h5-6,10,12,14H,1-4,7-9,11H2/t14-/m0/s1

InChI Key

KYMUXAKFNZEYBJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29031735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.005

Distribution Coefficient, logD

-0.005

Water Solubility, LogSw

-0.61

Polar Surface Area

81.949

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S211-1301 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S211-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S211-1301?
Check Price and Availability of S211-1301, 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 S211-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S211-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S211-1301
  • 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 S211-1301 available by request