S212-0553 Screening compound: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine

S212-0553 Screening compound: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
S212-0553 Screening compound: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S212-0553
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine

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

S212-0553

Molecular Formula

C14H21N5O4S (C14 H21 N5 O4 S)

Compound Name

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine

IUPAC name

3-[(3-ethyl-124-oxadiazol-5-yl)methoxy]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine

SMILES

CCc1noc(COC(CCC2)CN2S(c2cn(C)cn2)(=O)=O)n1

InChI

InChI=1S/C14H21N5O4S/c1-3-12-16-13(23-17-12)9-22-11-5-4-6-19(7-11)24(20,21)14-8-18(2)10-15-14/h8,10-11H,3-7,9H2,1-2H3/t11-/m0/s1

InChI Key

ZDUIGVZTOKBCQW-NSHDSACASA-N

MDL Number (MFCD)

MFCD27617658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.294

Distribution Coefficient, logD

0.294

Water Solubility, LogSw

-1.34

Polar Surface Area

83.641

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.30

S212-0553 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S212-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S212-0553?
Check Price and Availability of S212-0553, 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 S212-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S212-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S212-0553
  • 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 S212-0553 available by request