D490-0333 Screening compound: 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[3-(methylsulfanyl)phenyl]amino}pyrimidine-5-carbonitrile

D490-0333 Screening compound: 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[3-(methylsulfanyl)phenyl]amino}pyrimidine-5-carbonitrile
D490-0333 Screening compound: 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[3-(methylsulfanyl)phenyl]amino}pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0333
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[3-(methylsulfanyl)phenyl]amino}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

D490-0333

Molecular Formula

C19H15ClN4S2 (C19 H15 ClN4 S2)

Compound Name

4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[3-(methylsulfanyl)phenyl]amino}pyrimidine-5-carbonitrile

IUPAC name

4-(4-chlorophenyl)-2-(methylsulfanyl)-6-{[3-(methylsulfanyl)phenyl]amino}pyrimidine-5-carbonitrile

SMILES

CSc1cccc(Nc(nc(nc2-c(cc3)ccc3Cl)SC)c2C#N)c1

InChI

InChI=1S/C19H15ClN4S2/c1-25-15-5-3-4-14(10-15)22-18-16(11-21)17(23-19(24-18)26-2)12-6-8-13(20)9-7-12/h3-10H,1-2H3,(H,22,23,24)

InChI Key

VCDSXJZARCGCCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.789

Distribution Coefficient, logD

5.789

Water Solubility, LogSw

-6.41

Polar Surface Area

44.639

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D490-0333 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D490-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0333?
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What is the minimum amount of D490-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0333
  • 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 D490-0333 available by request