P217-0078F Screening compound: [7-(PHENYLSULFONYL)-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL][4-(TRIFLUOROMETHYL)PHENYL]METHANONE

P217-0078F Screening compound: [7-(PHENYLSULFONYL)-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL][4-(TRIFLUOROMETHYL)PHENYL]METHANONE
P217-0078F Screening compound: [7-(PHENYLSULFONYL)-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL][4-(TRIFLUOROMETHYL)PHENYL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-0078F
[7-(PHENYLSULFONYL)-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL][4-(TRIFLUOROMETHYL)PHENYL]METHANONE

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

P217-0078F

Molecular Formula

C20H19F3N2O4S (C20 H19 F3 N2 O4 S)

Compound Name

[7-(PHENYLSULFONYL)-9-OXA-3,7-DIAZABICYCLO[3.3.1]NON-3-YL][4-(TRIFLUOROMETHYL)PHENYL]METHANONE

IUPAC name

n/a

SMILES

O=C(c1ccc(C(F)(F)F)cc1)N(C1)CC(C2)OC1CN2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C20H19F3N2O4S/c21-20(22,23)15-8-6-14(7-9-15)19(26)24-10-16-12-25(13-17(11-24)29-16)30(27,28)18-4-2-1-3-5-18/h1-9,16-17H,10-13H2

InChI Key

GAWFQTGIWCMOPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.44

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

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.64

Polar Surface Area

54.608

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

P217-0078F in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P217-0078F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-0078F?
Check Price and Availability of P217-0078F, 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 P217-0078F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-0078F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-0078F
  • 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 P217-0078F available by request