P217-0171 Screening compound: N-{2-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl}benzamide

P217-0171 Screening compound: N-{2-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl}benzamide
P217-0171 Screening compound: N-{2-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-0171
N-{2-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl}benzamide

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

P217-0171

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

N-{2-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl}benzamide

IUPAC name

N-{2-[7-(4-methylbenzenesulfonyl)-9-oxa-37-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl}benzamide

SMILES

Cc(cc1)ccc1S(N1CC(CN(C2)C(CNC(c3ccccc3)=O)=O)OC2C1)(=O)=O

InChI

InChI=1S/C22H25N3O5S/c1-16-7-9-20(10-8-16)31(28,29)25-14-18-12-24(13-19(15-25)30-18)21(26)11-23-22(27)17-5-3-2-4-6-17/h2-10,18-19H,11-15H2,1H3,(H,23,27)

InChI Key

AHFSLBAEVVDQAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-2.55

Polar Surface Area

78.765

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

P217-0171 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 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 P217-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-0171?
Check Price and Availability of P217-0171, 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 P217-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-0171
  • 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 P217-0171 available by request