C162-0027 Screening compound: 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

C162-0027 Screening compound: 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine
C162-0027 Screening compound: 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0027
4-(difluoromethyl)-N-[(4-methoxyphenyl)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

C162-0027

Molecular Formula

C20H19F2N3O (C20 H19 F2 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1cc(C(F)F)nc(NCc(cc2)ccc2OC)n1

InChI

InChI=1S/C20H19F2N3O/c1-13-3-7-15(8-4-13)17-11-18(19(21)22)25-20(24-17)23-12-14-5-9-16(26-2)10-6-14/h3-11,19H,12H2,1-2H3,(H,23,24,25)

InChI Key

MMAVVYXQGILRCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

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

5.068

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-4.73

Polar Surface Area

37.451

Acid Dissociation Constant (pKa)

17.57

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C162-0027 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 C162-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0027?
Check Price and Availability of C162-0027, 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 C162-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0027
  • 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 C162-0027 available by request