C130-0074 Screening compound: 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C130-0074 Screening compound: 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
C130-0074 Screening compound: 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0074
4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

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

C130-0074

Molecular Formula

C17H17F4N3 (C17 H17 F4 N3)

Compound Name

4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

IUPAC name

4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

SMILES

CC(CC1)CCN1c1nc(C(F)(F)F)cc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C17H17F4N3/c1-11-6-8-24(9-7-11)16-22-14(10-15(23-16)17(19,20)21)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3

InChI Key

JWXDAUCRRAYRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.72

Polar Surface Area

20.917

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C130-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C130-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0074?
Check Price and Availability of C130-0074, 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 C130-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0074
  • 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 C130-0074 available by request