P217-0215 Screening compound: 1-{7-[(4-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL}-2-(4-PYRIDYLSULFANYL)-1-ETHANONE

P217-0215 Screening compound: 1-{7-[(4-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL}-2-(4-PYRIDYLSULFANYL)-1-ETHANONE
P217-0215 Screening compound: 1-{7-[(4-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL}-2-(4-PYRIDYLSULFANYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-0215
1-{7-[(4-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL}-2-(4-PYRIDYLSULFANYL)-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

P217-0215

Molecular Formula

C20H23N3O4S2 (C20 H23 N3 O4 S2)

Compound Name

1-{7-[(4-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL}-2-(4-PYRIDYLSULFANYL)-1-ETHANONE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1S(N1CC(CN(C2)C(CSc3ccncc3)=O)OC2C1)(=O)=O

InChI

InChI=1S/C20H23N3O4S2/c1-15-2-4-19(5-3-15)29(25,26)23-12-16-10-22(11-17(13-23)27-16)20(24)14-28-18-6-8-21-9-7-18/h2-9,16-17H,10-14H2,1H3

InChI Key

MRGPKFGWMDBBLC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.344

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-2.07

Polar Surface Area

63.509

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

P217-0215 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P217-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-0215?
Check Price and Availability of P217-0215, 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 P217-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-0215
  • 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 P217-0215 available by request