P217-0586 Screening compound: 3-(4-methoxybenzoyl)-7-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane

P217-0586 Screening compound: 3-(4-methoxybenzoyl)-7-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane
P217-0586 Screening compound: 3-(4-methoxybenzoyl)-7-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-0586
3-(4-methoxybenzoyl)-7-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane

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

P217-0586

Molecular Formula

C21H24N2O6S (C21 H24 N2 O6 S)

Compound Name

3-(4-methoxybenzoyl)-7-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane

IUPAC name

3-(4-methoxybenzoyl)-7-(4-methoxybenzenesulfonyl)-9-oxa-37-diazabicyclo[3.3.1]nonane

SMILES

COc(cc1)ccc1C(N(C1)CC(C2)OC1CN2S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C21H24N2O6S/c1-27-16-5-3-15(4-6-16)21(24)22-11-18-13-23(14-19(12-22)29-18)30(25,26)20-9-7-17(28-2)8-10-20/h3-10,18-19H,11-14H2,1-2H3

InChI Key

OXMNDQLGLJYMEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.703

Distribution Coefficient, logD

1.703

Water Solubility, LogSw

-2.49

Polar Surface Area

69.695

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

P217-0586 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 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

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P217-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-0586?
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What is the minimum amount of P217-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-0586
  • 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 P217-0586 available by request