P217-1655 Screening compound: 3-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane

P217-1655 Screening compound: 3-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane
P217-1655 Screening compound: 3-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-1655
3-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(3-methylphenyl)sulfonyl]-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

P217-1655

Molecular Formula

C18H24N4O5S2 (C18 H24 N4 O5 S2)

Compound Name

3-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(3-methylphenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane

IUPAC name

n/a

SMILES

CCn1ncc(S(N(C2)C[C@@H](C3)O[C@@H]2CN3S(c2cc(C)ccc2)(=O)=O)(=O)=O)c1

InChI

InChI=1S/C18H24N4O5S2/c1-3-20-13-18(8-19-20)29(25,26)22-11-15-9-21(10-16(12-22)27-15)28(23,24)17-6-4-5-14(2)7-17/h4-8,13,15-16H,3,9-12H2,1-2H3/t15-,16+

InChI Key

AISVOIVDUPBGRL-IYBDPMFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.883

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-2.01

Polar Surface Area

84.172

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

P217-1655 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 P217-1655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-1655?
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What is the minimum amount of P217-1655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-1655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-1655
  • 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 P217-1655 available by request