D058-0151 Screening compound: 5-benzyl-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,4-dihydropyrimidin-4-one

D058-0151 Screening compound: 5-benzyl-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,4-dihydropyrimidin-4-one
D058-0151 Screening compound: 5-benzyl-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0151
5-benzyl-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,4-dihydropyrimidin-4-one

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

D058-0151

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

5-benzyl-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,4-dihydropyrimidin-4-one

IUPAC name

5-benzyl-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(N1)SCC(N(CC2)CCN2c(cccc2)c2OC)=O)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C25H28N4O3S/c1-18-20(16-19-8-4-3-5-9-19)24(31)27-25(26-18)33-17-23(30)29-14-12-28(13-15-29)21-10-6-7-11-22(21)32-2/h3-11H,12-17H2,1-2H3,(H,26,27,31)

InChI Key

HCFXNZCURFIPRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.46

Polar Surface Area

60.863

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D058-0151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D058-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0151?
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What is the minimum amount of D058-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0151
  • 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 D058-0151 available by request