S594-0072 Screening compound: N-benzyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide

S594-0072 Screening compound: N-benzyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide
S594-0072 Screening compound: N-benzyl-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0072
N-benzyl-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

S594-0072

Molecular Formula

C19H26N4O4 (C19 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCOCc1nc(C(CC2)CCN2C(NCc2ccccc2)=O)no1

InChI

InChI=1S/C19H26N4O4/c1-25-11-12-26-14-17-21-18(22-27-17)16-7-9-23(10-8-16)19(24)20-13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,20,24)

InChI Key

CNBMTFSNWZFGAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.261

Distribution Coefficient, logD

1.261

Water Solubility, LogSw

-1.63

Polar Surface Area

75.068

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

S594-0072 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S594-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0072?
Check Price and Availability of S594-0072, 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 S594-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0072
  • 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 S594-0072 available by request