S936-0123 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1-carboxamide

S936-0123 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1-carboxamide
S936-0123 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S936-0123
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}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

S936-0123

Molecular Formula

C23H30N4O5 (C23 H30 N4 O5)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-{2-[3-(oxan-4-yl)-124-oxadiazol-5-yl]ethyl}piperidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N1CCC(CCc2nc(C3CCOCC3)no2)CC1

InChI

InChI=1S/C23H30N4O5/c28-23(24-18-2-3-19-20(15-18)31-14-13-30-19)27-9-5-16(6-10-27)1-4-21-25-22(26-32-21)17-7-11-29-12-8-17/h2-3,15-17H,1,4-14H2,(H,24,28)

InChI Key

NBYXBMGTMGCNPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31993939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.793

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.39

Polar Surface Area

80.703

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

S936-0123 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 S936-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S936-0123?
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What is the minimum amount of S936-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S936-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S936-0123
  • 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 S936-0123 available by request