P217-1290 Screening compound: N-(2-methoxyethyl)-7-(3-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

P217-1290 Screening compound: N-(2-methoxyethyl)-7-(3-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
P217-1290 Screening compound: N-(2-methoxyethyl)-7-(3-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-1290
N-(2-methoxyethyl)-7-(3-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

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

P217-1290

Molecular Formula

C17H25N3O5S (C17 H25 N3 O5 S)

Compound Name

N-(2-methoxyethyl)-7-(3-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

IUPAC name

(1R5S)-N-(2-methoxyethyl)-7-(3-methylbenzenesulfonyl)-9-oxa-37-diazabicyclo[3.3.1]nonane-3-carboxamide

SMILES

Cc1cccc(S(N2C[C@H](CN(C3)C(NCCOC)=O)O[C@@H]3C2)(=O)=O)c1

InChI

InChI=1S/C17H25N3O5S/c1-13-4-3-5-16(8-13)26(22,23)20-11-14-9-19(10-15(12-20)25-14)17(21)18-6-7-24-2/h3-5,8,14-15H,6-7,9-12H2,1-2H3,(H,18,21)/t14-,15+

InChI Key

OXMYDGQLAFRHRF-GASCZTMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.187

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-2.41

Polar Surface Area

73.206

Acid Dissociation Constant (pKa)

15.96

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

P217-1290 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 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 P217-1290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-1290?
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What is the minimum amount of P217-1290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-1290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-1290
  • 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 P217-1290 available by request