D623-0036 Screening compound: ethyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate

D623-0036 Screening compound: ethyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
D623-0036 Screening compound: ethyl 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 D623-0036
ethyl 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

D623-0036

Molecular Formula

C19H15N3O4S (C19 H15 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H15N3O4S/c1-2-25-18(24)13-7-5-12(6-8-13)11-27-19-21-16(15-4-3-9-26-15)14(10-20)17(23)22-19/h3-9H,2,11H2,1H3,(H,21,22,23)

InChI Key

JNTVNRLJLTVICK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

-0.084

Water Solubility, LogSw

-3.26

Polar Surface Area

80.770

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D623-0036 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D623-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D623-0036?
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What is the minimum amount of D623-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D623-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D623-0036
  • 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 D623-0036 available by request