S926-8028 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine-1-carboxamide

S926-8028 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine-1-carboxamide
S926-8028 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S926-8028
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}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

S926-8028

Molecular Formula

C20H26N4O6 (C20 H26 N4 O6)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine-1-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-{[5-(2-methoxyethyl)-124-oxadiazol-3-yl]methoxy}piperidine-1-carboxamide

SMILES

COCCc1nc(COC(CCC2)CN2C(Nc(cc2)cc3c2OCCO3)=O)no1

InChI

InChI=1S/C20H26N4O6/c1-26-8-6-19-22-18(23-30-19)13-29-15-3-2-7-24(12-15)20(25)21-14-4-5-16-17(11-14)28-10-9-27-16/h4-5,11,15H,2-3,6-10,12-13H2,1H3,(H,21,25)/t15-/m0/s1

InChI Key

JTSDCHMYGGMKRM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31960525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.813

Distribution Coefficient, logD

0.813

Water Solubility, LogSw

-1.99

Polar Surface Area

89.153

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S926-8028 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 S926-8028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S926-8028?
Check Price and Availability of S926-8028, 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 S926-8028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S926-8028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S926-8028
  • 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 S926-8028 available by request