S892-1220 Screening compound: {2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidino}(1,3-oxazol-5-yl)methanone

S892-1220 Screening compound: {2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidino}(1,3-oxazol-5-yl)methanone
S892-1220 Screening compound: {2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidino}(1,3-oxazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S892-1220
{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidino}(1,3-oxazol-5-yl)methanone

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

S892-1220

Molecular Formula

C18H24N4O4 (C18 H24 N4 O4)

Compound Name

{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]piperidino}(1,3-oxazol-5-yl)methanone

IUPAC name

2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-1-(13-oxazole-5-carbonyl)piperidine

SMILES

COCCn1nc(C(CCCC2)N2C(c2cnco2)=O)c2c1CCOC2

InChI

InChI=1S/C18H24N4O4/c1-24-9-7-22-14-5-8-25-11-13(14)17(20-22)15-4-2-3-6-21(15)18(23)16-10-19-12-26-16/h10,12,15H,2-9,11H2,1H3/t15-/m0/s1

InChI Key

MITXYSLCXYZVRN-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.527

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-0.31

Polar Surface Area

66.263

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S892-1220 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S892-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S892-1220?
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What is the minimum amount of S892-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S892-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S892-1220
  • 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 S892-1220 available by request