C162-0005 Screening compound: 4-(difluoromethyl)-6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine

C162-0005 Screening compound: 4-(difluoromethyl)-6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
C162-0005 Screening compound: 4-(difluoromethyl)-6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0005
4-(difluoromethyl)-6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)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

C162-0005

Molecular Formula

C18H21F2N3 (C18 H21 F2 N3)

Compound Name

4-(difluoromethyl)-6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine

IUPAC name

4-(difluoromethyl)-6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine

SMILES

CC(CC1)CCN1c1nc(-c2ccc(C)cc2)cc(C(F)F)n1

InChI

InChI=1S/C18H21F2N3/c1-12-3-5-14(6-4-12)15-11-16(17(19)20)22-18(21-15)23-9-7-13(2)8-10-23/h3-6,11,13,17H,7-10H2,1-2H3

InChI Key

KOLFKNDMRPOIGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.38

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

5.451

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.53

Polar Surface Area

20.917

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C162-0005 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C162-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0005?
Check Price and Availability of C162-0005, 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 C162-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0005
  • 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 C162-0005 available by request