C393-0041 Screening compound: ethyl 6-(5-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

C393-0041 Screening compound: ethyl 6-(5-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
C393-0041 Screening compound: ethyl 6-(5-{[(4-methyl-6-oxo-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 C393-0041
ethyl 6-(5-{[(4-methyl-6-oxo-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

C393-0041

Molecular Formula

C17H22N4O5S (C17 H22 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCCCC(C(N1)=C(CSC(N2)=NC(C)=CC2=O)NC1=O)=O)=O

InChI

InChI=1S/C17H22N4O5S/c1-3-26-14(24)7-5-4-6-12(22)15-11(19-16(25)21-15)9-27-17-18-10(2)8-13(23)20-17/h8H,3-7,9H2,1-2H3,(H,18,20,23)(H2,19,21,25)

InChI Key

VYXKATGJKODPQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

-2.433

Water Solubility, LogSw

-2.03

Polar Surface Area

103.572

Acid Dissociation Constant (pKa)

4.35

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C393-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C393-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C393-0041?
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What is the minimum amount of C393-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C393-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C393-0041
  • 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 C393-0041 available by request