D518-0015 Screening compound: propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate

D518-0015 Screening compound: propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
D518-0015 Screening compound: propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D518-0015
propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate

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

D518-0015

Molecular Formula

C20H17N3O4S (C20 H17 N3 O4 S)

Compound Name

propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate

IUPAC name

propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate

SMILES

CCCOC(c1ccc(CSC(NC2=O)=NC(c3ccco3)=C2C#N)cc1)=O

InChI

InChI=1S/C20H17N3O4S/c1-2-9-27-19(25)14-7-5-13(6-8-14)12-28-20-22-17(16-4-3-10-26-16)15(11-21)18(24)23-20/h3-8,10H,2,9,12H2,1H3,(H,22,23,24)

InChI Key

FDBTZPHLVCNZSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

0.428

Water Solubility, LogSw

-3.47

Polar Surface Area

81.065

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D518-0015 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D518-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D518-0015?
Check Price and Availability of D518-0015, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D518-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D518-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D518-0015
  • 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 D518-0015 available by request