D112-0014 Screening compound: 4-phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile

D112-0014 Screening compound: 4-phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile
D112-0014 Screening compound: 4-phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0014
4-phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile

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

D112-0014

Molecular Formula

C19H17F3N2O3S (C19 H17 F3 N2 O3 S)

Compound Name

4-phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile

IUPAC name

4-phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile

SMILES

N#CC(CC1)(CCN1S(c(cc1)ccc1OC(F)(F)F)(=O)=O)c1ccccc1

InChI

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

InChI Key

SJLIKCPDUKICDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811868

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

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.40

Polar Surface Area

54.671

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

-5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D112-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D112-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0014?
Check Price and Availability of D112-0014, 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 D112-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0014
  • 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 D112-0014 available by request