D490-0084 Screening compound: 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

D490-0084 Screening compound: 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
D490-0084 Screening compound: 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0084
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)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

D490-0084

Molecular Formula

C26H29N5S (C26 H29 N5 S)

Compound Name

4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

IUPAC name

4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(SC)nc(N(CC2)CCN2c2ccccc2)c1C#N

InChI

InChI=1S/C26H29N5S/c1-26(2,3)20-12-10-19(11-13-20)23-22(18-27)24(29-25(28-23)32-4)31-16-14-30(15-17-31)21-8-6-5-7-9-21/h5-13H,14-17H2,1-4H3

InChI Key

CLLSVUBWXFQQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.867

Distribution Coefficient, logD

6.867

Water Solubility, LogSw

-6.08

Polar Surface Area

41.733

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with D490-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0084?
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What is the minimum amount of D490-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0084
  • 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 D490-0084 available by request