D216-0351 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-4-[3-(trifluoromethyl)phenoxy]piperidine

D216-0351 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-4-[3-(trifluoromethyl)phenoxy]piperidine
D216-0351 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-4-[3-(trifluoromethyl)phenoxy]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0351
1-(3,4-dimethoxybenzenesulfonyl)-4-[3-(trifluoromethyl)phenoxy]piperidine

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

D216-0351

Molecular Formula

C20H22F3NO5S (C20 H22 F3 NO5 S)

Compound Name

1-(3,4-dimethoxybenzenesulfonyl)-4-[3-(trifluoromethyl)phenoxy]piperidine

IUPAC name

1-(34-dimethoxybenzenesulfonyl)-4-[3-(trifluoromethyl)phenoxy]piperidine

SMILES

COc(ccc(S(N(CC1)CCC1Oc1cc(C(F)(F)F)ccc1)(=O)=O)c1)c1OC

InChI

InChI=1S/C20H22F3NO5S/c1-27-18-7-6-17(13-19(18)28-2)30(25,26)24-10-8-15(9-11-24)29-16-5-3-4-14(12-16)20(21,22)23/h3-7,12-13,15H,8-11H2,1-2H3

InChI Key

IQXJOVMXUPNWRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.11

Polar Surface Area

53.472

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D216-0351 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D216-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0351?
Check Price and Availability of D216-0351, 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 D216-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0351
  • 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 D216-0351 available by request