S212-1085 Screening compound: cyclobutyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone

S212-1085 Screening compound: cyclobutyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone
S212-1085 Screening compound: cyclobutyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-1085
cyclobutyl(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

S212-1085

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(C1CCC1)N(CCC1)CC1OCc1nc(-c2ccncc2)no1

InChI

InChI=1S/C18H22N4O3/c23-18(14-3-1-4-14)22-10-2-5-15(11-22)24-12-16-20-17(21-25-16)13-6-8-19-9-7-13/h6-9,14-15H,1-5,10-12H2/t15-/m0/s1

InChI Key

SAKPWKOWEMBRBG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27617707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-1.25

Polar Surface Area

64.856

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

S212-1085 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 S212-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-1085?
Check Price and Availability of S212-1085, 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 S212-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-1085
  • 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 S212-1085 available by request