D287-0117 Screening compound: 4-(cyclohexylamino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D287-0117 Screening compound: 4-(cyclohexylamino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D287-0117 Screening compound: 4-(cyclohexylamino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D287-0117
4-(cyclohexylamino)-6-(4-methylphenyl)-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

D287-0117

Molecular Formula

C19H22N4S (C19 H22 N4 S)

Compound Name

4-(cyclohexylamino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-(cyclohexylamino)-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

Cc(cc1)ccc1-c1nc(SC)nc(NC2CCCCC2)c1C#N

InChI

InChI=1S/C19H22N4S/c1-13-8-10-14(11-9-13)17-16(12-20)18(23-19(22-17)24-2)21-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,21,22,23)

InChI Key

PDGUJALMCBZDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08154853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.15

Polar Surface Area

45.686

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with D287-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D287-0117?
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What is the minimum amount of D287-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D287-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D287-0117
  • 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 D287-0117 available by request