C130-0241 Screening compound: N-benzyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C130-0241 Screening compound: N-benzyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
C130-0241 Screening compound: N-benzyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0241
N-benzyl-4-(4-methoxyphenyl)-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

C130-0241

Molecular Formula

C19H16F3N3O (C19 H16 F3 N3 O)

Compound Name

N-benzyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

IUPAC name

N-benzyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

SMILES

COc(cc1)ccc1-c1cc(C(F)(F)F)nc(NCc2ccccc2)n1

InChI

InChI=1S/C19H16F3N3O/c1-26-15-9-7-14(8-10-15)16-11-17(19(20,21)22)25-18(24-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,25)

InChI Key

XYGOZVMGHIJCRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.18

Polar Surface Area

37.451

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C130-0241 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 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
  • Epigenetic
Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C130-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0241?
Check Price and Availability of C130-0241, 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 C130-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0241
  • 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 C130-0241 available by request