C130-0049 Screening compound: 4-phenyl-N-[(thiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C130-0049 Screening compound: 4-phenyl-N-[(thiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
C130-0049 Screening compound: 4-phenyl-N-[(thiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0049
4-phenyl-N-[(thiophen-2-yl)methyl]-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

C130-0049

Molecular Formula

C16H12F3N3S (C16 H12 F3 N3 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1nc(NCc2cccs2)nc(-c2ccccc2)c1)(F)F

InChI

InChI=1S/C16H12F3N3S/c17-16(18,19)14-9-13(11-5-2-1-3-6-11)21-15(22-14)20-10-12-7-4-8-23-12/h1-9H,10H2,(H,20,21,22)

InChI Key

MAGRYKCIBXUZJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.35

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

5.062

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-5.01

Polar Surface Area

30.925

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C130-0049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C130-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0049?
Check Price and Availability of C130-0049, 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 C130-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0049
  • 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 C130-0049 available by request