S212-0417 Screening compound: 1-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone

S212-0417 Screening compound: 1-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone
S212-0417 Screening compound: 1-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-0417
1-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}-2-(2-methyl-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

S212-0417

Molecular Formula

C16H23N5O3 (C16 H23 N5 O3)

Compound Name

1-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone

IUPAC name

n/a

SMILES

CCc1noc(COC(CCC2)CN2C(Cn2c(C)ncc2)=O)n1

InChI

InChI=1S/C16H23N5O3/c1-3-14-18-15(24-19-14)11-23-13-5-4-7-21(9-13)16(22)10-20-8-6-17-12(20)2/h6,8,13H,3-5,7,9-11H2,1-2H3/t13-/m0/s1

InChI Key

HWXXXVRYNMKCFO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27617646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

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

0.209

Distribution Coefficient, logD

-0.816

Water Solubility, LogSw

-0.66

Polar Surface Area

68.198

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S212-0417 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S212-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-0417?
Check Price and Availability of S212-0417, 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 S212-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-0417
  • 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 S212-0417 available by request