4715-0010 Screening compound: ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate

4715-0010 Screening compound: ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate
4715-0010 Screening compound: ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-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 4715-0010
ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-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

4715-0010

Molecular Formula

C24H25N5O6S (C24 H25 N5 O6 S)

Compound Name

ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-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-({[5-cyano-4-(3-methoxyphenyl)-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(NC2=O)=NC(c3cc(OC)ccc3)=C2C#N)NC1=O)=O)=O

InChI

InChI=1S/C24H25N5O6S/c1-3-35-19(31)10-5-4-9-18(30)21-17(26-23(33)27-21)13-36-24-28-20(16(12-25)22(32)29-24)14-7-6-8-15(11-14)34-2/h6-8,11H,3-5,9-10,13H2,1-2H3,(H2,26,27,33)(H,28,29,32)

InChI Key

ARJBEMTUBHHCOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

-1.794

Water Solubility, LogSw

-2.84

Polar Surface Area

128.254

Acid Dissociation Constant (pKa)

3.53

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4715-0010 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 4715-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4715-0010?
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What is the minimum amount of 4715-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4715-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4715-0010
  • 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 4715-0010 available by request