C162-0029 Screening compound: 4-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

C162-0029 Screening compound: 4-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine
C162-0029 Screening compound: 4-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0029
4-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)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

C162-0029

Molecular Formula

C19H16F3N3 (C19 H16 F3 N3)

Compound Name

4-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

IUPAC name

4-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

SMILES

Cc(cc1)ccc1-c1cc(C(F)F)nc(NCc(cc2)ccc2F)n1

InChI

InChI=1S/C19H16F3N3/c1-12-2-6-14(7-3-12)16-10-17(18(21)22)25-19(24-16)23-11-13-4-8-15(20)9-5-13/h2-10,18H,11H2,1H3,(H,23,24,25)

InChI Key

QFFNTWDOBIJHBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.35

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

5.115

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-5.06

Polar Surface Area

29.907

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C162-0029 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C162-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0029?
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What is the minimum amount of C162-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0029
  • 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 C162-0029 available by request