C393-0042 Screening compound: ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

C393-0042 Screening compound: ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
C393-0042 Screening compound: ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C393-0042
ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

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

C393-0042

Molecular Formula

C23H23N5O5S (C23 H23 N5 O5 S)

Compound Name

ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

IUPAC name

ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-23-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

SMILES

CCOC(CCCCC(C(N1)=C(CSC(NC2=O)=NC(c3ccccc3)=C2C#N)NC1=O)=O)=O

InChI

InChI=1S/C23H23N5O5S/c1-2-33-18(30)11-7-6-10-17(29)20-16(25-22(32)26-20)13-34-23-27-19(14-8-4-3-5-9-14)15(12-24)21(31)28-23/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H2,25,26,32)(H,27,28,31)

InChI Key

PVSZILJUJHCSJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

-1.936

Water Solubility, LogSw

-2.55

Polar Surface Area

120.711

Acid Dissociation Constant (pKa)

3.53

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

C393-0042 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C393-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C393-0042?
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What is the minimum amount of C393-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C393-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C393-0042
  • 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 C393-0042 available by request