8009-5964 Screening compound: 4-(4-chlorophenyl)-1-ethyl-2-(ethylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

8009-5964 Screening compound: 4-(4-chlorophenyl)-1-ethyl-2-(ethylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
8009-5964 Screening compound: 4-(4-chlorophenyl)-1-ethyl-2-(ethylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5964
4-(4-chlorophenyl)-1-ethyl-2-(ethylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

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

8009-5964

Molecular Formula

C15H14ClN3OS (C15 H14 ClN3 OS)

Compound Name

4-(4-chlorophenyl)-1-ethyl-2-(ethylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

IUPAC name

4-(4-chlorophenyl)-1-ethyl-2-(ethylsulfanyl)-6-oxo-16-dihydropyrimidine-5-carbonitrile

SMILES

CCN(C1=O)C(SCC)=NC(c(cc2)ccc2Cl)=C1C#N

InChI

InChI=1S/C15H14ClN3OS/c1-3-19-14(20)12(9-17)13(18-15(19)21-4-2)10-5-7-11(16)8-6-10/h5-8H,3-4H2,1-2H3

InChI Key

YFQVKLHCHPEABI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.36

Polar Surface Area

42.976

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8009-5964 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8009-5964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5964?
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What is the minimum amount of 8009-5964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5964
  • 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 8009-5964 available by request