S212-0805 Screening compound: 1-{3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY]PIPERIDINO}-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE

S212-0805 Screening compound: 1-{3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY]PIPERIDINO}-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
S212-0805 Screening compound: 1-{3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY]PIPERIDINO}-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-0805
1-{3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY]PIPERIDINO}-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE

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

S212-0805

Molecular Formula

C16H21N5O3 (C16 H21 N5 O3)

Compound Name

1-{3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHOXY]PIPERIDINO}-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE

IUPAC name

1-{3-[(3-cyclopropyl-124-oxadiazol-5-yl)methoxy]piperidin-1-yl}-2-(1H-imidazol-1-yl)ethan-1-one

SMILES

O=C(Cn1cncc1)N(CCC1)CC1OCc1nc(C2CC2)no1

InChI

InChI=1S/C16H21N5O3/c22-15(9-20-7-5-17-11-20)21-6-1-2-13(8-21)23-10-14-18-16(19-24-14)12-3-4-12/h5,7,11-13H,1-4,6,8-10H2/t13-/m0/s1

InChI Key

DRJJGCQISZCDMZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27617690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.523

Distribution Coefficient, logD

0.359

Water Solubility, LogSw

-0.52

Polar Surface Area

67.723

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S212-0805 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S212-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-0805?
Check Price and Availability of S212-0805, 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 S212-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-0805
  • 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 S212-0805 available by request