S212-1062 Screening compound: 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(propan-2-yl)piperidine-1-carboxamide

S212-1062 Screening compound: 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(propan-2-yl)piperidine-1-carboxamide
S212-1062 Screening compound: 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(propan-2-yl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-1062
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(propan-2-yl)piperidine-1-carboxamide

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

S212-1062

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(propan-2-yl)piperidine-1-carboxamide

IUPAC name

3-[(3-phenyl-124-oxadiazol-5-yl)methoxy]-N-(propan-2-yl)piperidine-1-carboxamide

SMILES

CC(C)NC(N(CCC1)CC1OCc1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C18H24N4O3/c1-13(2)19-18(23)22-10-6-9-15(11-22)24-12-16-20-17(21-25-16)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,19,23)/t15-/m0/s1

InChI Key

LKEKGUXBAWZPQZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29031863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.28

Polar Surface Area

64.293

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S212-1062 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S212-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-1062?
Check Price and Availability of S212-1062, 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 S212-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-1062
  • 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 S212-1062 available by request