S212-1079 Screening compound: 2-furyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone

S212-1079 Screening compound: 2-furyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone
S212-1079 Screening compound: 2-furyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-1079
2-furyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}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

S212-1079

Molecular Formula

C18H18N4O4 (C18 H18 N4 O4)

Compound Name

2-furyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone

IUPAC name

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

SMILES

O=C(c1ccco1)N(CCC1)CC1OCc1nc(-c2ccncc2)no1

InChI

InChI=1S/C18H18N4O4/c23-18(15-4-2-10-24-15)22-9-1-3-14(11-22)25-12-16-20-17(21-26-16)13-5-7-19-8-6-13/h2,4-8,10,14H,1,3,9,11-12H2/t14-/m0/s1

InChI Key

ZDPYBNCKMXFISY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27617705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-1.20

Polar Surface Area

72.911

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S212-1079 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S212-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-1079?
Check Price and Availability of S212-1079, 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 S212-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-1079
  • 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 S212-1079 available by request