D216-0337 Screening compound: 4-({4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl}sulfonyl)benzonitrile

D216-0337 Screening compound: 4-({4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl}sulfonyl)benzonitrile
D216-0337 Screening compound: 4-({4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0337
4-({4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl}sulfonyl)benzonitrile

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

D216-0337

Molecular Formula

C19H17F3N2O3S (C19 H17 F3 N2 O3 S)

Compound Name

4-({4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl}sulfonyl)benzonitrile

IUPAC name

4-({4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl}sulfonyl)benzonitrile

SMILES

N#Cc(cc1)ccc1S(N(CC1)CCC1Oc1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C19H17F3N2O3S/c20-19(21,22)15-2-1-3-17(12-15)27-16-8-10-24(11-9-16)28(25,26)18-6-4-14(13-23)5-7-18/h1-7,12,16H,8-11H2

InChI Key

GBFDPMNLFMVEMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.23

Polar Surface Area

55.267

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D216-0337 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D216-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0337?
Check Price and Availability of D216-0337, 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 D216-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0337
  • 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 D216-0337 available by request