C130-0052 Screening compound: N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

C130-0052 Screening compound: N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
C130-0052 Screening compound: N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0052
N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

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

C130-0052

Molecular Formula

C18H13F4N3 (C18 H13 F4 N3)

Compound Name

N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

IUPAC name

N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

SMILES

FC(c1nc(NCc(cc2)ccc2F)nc(-c2ccccc2)c1)(F)F

InChI

InChI=1S/C18H13F4N3/c19-14-8-6-12(7-9-14)11-23-17-24-15(13-4-2-1-3-5-13)10-16(25-17)18(20,21)22/h1-10H,11H2,(H,23,24,25)

InChI Key

SVNVSTDRFRAKND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.116

Water Solubility, LogSw

-5.53

Polar Surface Area

29.907

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C130-0052 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C130-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0052?
Check Price and Availability of C130-0052, 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 C130-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0052
  • 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 C130-0052 available by request