P217-0228 Screening compound: (2E)-3-(3-chlorophenyl)-1-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one

P217-0228 Screening compound: (2E)-3-(3-chlorophenyl)-1-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one
P217-0228 Screening compound: (2E)-3-(3-chlorophenyl)-1-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-0228
(2E)-3-(3-chlorophenyl)-1-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one

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

P217-0228

Molecular Formula

C22H23ClN2O4S (C22 H23 ClN2 O4 S)

Compound Name

(2E)-3-(3-chlorophenyl)-1-[7-(4-methylbenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one

IUPAC name

(2E)-3-(3-chlorophenyl)-1-[7-(4-methylbenzenesulfonyl)-9-oxa-37-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one

SMILES

Cc(cc1)ccc1S(N1CC(CN(C2)C(/C=C/c3cccc(Cl)c3)=O)OC2C1)(=O)=O

InChI

InChI=1S/C22H23ClN2O4S/c1-16-5-8-21(9-6-16)30(27,28)25-14-19-12-24(13-20(15-25)29-19)22(26)10-7-17-3-2-4-18(23)11-17/h2-11,19-20H,12-15H2,1H3

InChI Key

WSALJWQWMMLKHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-3.85

Polar Surface Area

54.080

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

P217-0228 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P217-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-0228?
Check Price and Availability of P217-0228, 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 P217-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-0228
  • 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 P217-0228 available by request