S594-0052 Screening compound: N-ethyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide

S594-0052 Screening compound: N-ethyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide
S594-0052 Screening compound: N-ethyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0052
N-ethyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-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

S594-0052

Molecular Formula

C14H24N4O4 (C14 H24 N4 O4)

Compound Name

N-ethyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide

IUPAC name

N-ethyl-4-{5-[(2-methoxyethoxy)methyl]-124-oxadiazol-3-yl}piperidine-1-carboxamide

SMILES

CCNC(N(CC1)CCC1c1noc(COCCOC)n1)=O

InChI

InChI=1S/C14H24N4O4/c1-3-15-14(19)18-6-4-11(5-7-18)13-16-12(22-17-13)10-21-9-8-20-2/h11H,3-10H2,1-2H3,(H,15,19)

InChI Key

BFENRCKATVAYOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.260

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-1.17

Polar Surface Area

74.965

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.60

S594-0052 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 S594-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0052?
Check Price and Availability of S594-0052, 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 S594-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0052
  • 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 S594-0052 available by request