D490-0416 Screening compound: 4-(4-methylphenyl)-6-(2-methylpiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0416 Screening compound: 4-(4-methylphenyl)-6-(2-methylpiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0416 Screening compound: 4-(4-methylphenyl)-6-(2-methylpiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0416
4-(4-methylphenyl)-6-(2-methylpiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

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

D490-0416

Molecular Formula

C19H22N4S (C19 H22 N4 S)

Compound Name

4-(4-methylphenyl)-6-(2-methylpiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-(4-methylphenyl)-6-(2-methylpiperidin-1-yl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CC(CCCC1)N1c(nc(nc1-c2ccc(C)cc2)SC)c1C#N

InChI

InChI=1S/C19H22N4S/c1-13-7-9-15(10-8-13)17-16(12-20)18(22-19(21-17)24-3)23-11-5-4-6-14(23)2/h7-10,14H,4-6,11H2,1-3H3/t14-/m0/s1

InChI Key

BBRBQJVVYPLZGE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10090400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-4.64

Polar Surface Area

37.757

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with D490-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0416?
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What is the minimum amount of D490-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0416
  • 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 D490-0416 available by request