P217-0188 Screening compound: 2-(benzyloxy)-1-{7-[(4-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-1-ethanone

P217-0188 Screening compound: 2-(benzyloxy)-1-{7-[(4-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-1-ethanone
P217-0188 Screening compound: 2-(benzyloxy)-1-{7-[(4-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-0188
2-(benzyloxy)-1-{7-[(4-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-1-ethanone

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

P217-0188

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

2-(benzyloxy)-1-{7-[(4-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-1-ethanone

IUPAC name

n/a

SMILES

Cc(cc1)ccc1S(N1CC(CN(C2)C(COCc3ccccc3)=O)OC2C1)(=O)=O

InChI

InChI=1S/C22H26N2O5S/c1-17-7-9-21(10-8-17)30(26,27)24-13-19-11-23(12-20(14-24)29-19)22(25)16-28-15-18-5-3-2-4-6-18/h2-10,19-20H,11-16H2,1H3

InChI Key

LJPBGXZPMOWKND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.025

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-2.37

Polar Surface Area

62.515

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

P217-0188 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with P217-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-0188?
Check Price and Availability of P217-0188, 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 P217-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-0188
  • 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 P217-0188 available by request