D490-0050 Screening compound: 4-(4-tert-butylphenyl)-6-[(4-methylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0050 Screening compound: 4-(4-tert-butylphenyl)-6-[(4-methylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0050 Screening compound: 4-(4-tert-butylphenyl)-6-[(4-methylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0050
4-(4-tert-butylphenyl)-6-[(4-methylphenyl)amino]-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

D490-0050

Molecular Formula

C23H24N4S (C23 H24 N4 S)

Compound Name

4-(4-tert-butylphenyl)-6-[(4-methylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-(4-tert-butylphenyl)-6-[(4-methylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(SC)nc(Nc2ccc(C)cc2)c1C#N

InChI

InChI=1S/C23H24N4S/c1-15-6-12-18(13-7-15)25-21-19(14-24)20(26-22(27-21)28-5)16-8-10-17(11-9-16)23(2,3)4/h6-13H,1-5H3,(H,25,26,27)

InChI Key

IKKOWOGVJLFQEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.951

Distribution Coefficient, logD

6.951

Water Solubility, LogSw

-6.06

Polar Surface Area

44.639

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D490-0050 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D490-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0050?
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What is the minimum amount of D490-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0050
  • 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 D490-0050 available by request