5019-2198 Screening compound: {1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl}diphenylmethanol

5019-2198 Screening compound: {1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl}diphenylmethanol
5019-2198 Screening compound: {1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl}diphenylmethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5019-2198
{1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl}diphenylmethanol

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

5019-2198

Molecular Formula

C25H23F3N2O3 (C25 H23 F3 N2 O3)

Compound Name

{1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl}diphenylmethanol

IUPAC name

{1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl}diphenylmethanol

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1N(CC1)CCC1C(c1ccccc1)(c1ccccc1)O)=O

InChI

InChI=1S/C25H23F3N2O3/c26-25(27,28)21-11-12-22(23(17-21)30(32)33)29-15-13-20(14-16-29)24(31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,20,31H,13-16H2

InChI Key

PDBMHIRBPUJVAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-6.08

Polar Surface Area

50.996

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

5019-2198 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5019-2198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5019-2198?
Check Price and Availability of 5019-2198, 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 5019-2198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5019-2198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5019-2198
  • 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 5019-2198 available by request