D058-0086 Screening compound: 5-benzyl-2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one

D058-0086 Screening compound: 5-benzyl-2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one
D058-0086 Screening compound: 5-benzyl-2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0086
5-benzyl-2-{[2-(2-methoxyphenoxy)ethyl]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

D058-0086

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

5-benzyl-2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one

IUPAC name

5-benzyl-2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(N1)SCCOc(cccc2)c2OC)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C21H22N2O3S/c1-15-17(14-16-8-4-3-5-9-16)20(24)23-21(22-15)27-13-12-26-19-11-7-6-10-18(19)25-2/h3-11H,12-14H2,1-2H3,(H,22,23,24)

InChI Key

XCLCLUGUDVQFJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.77

Polar Surface Area

49.016

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D058-0086 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D058-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0086?
Check Price and Availability of D058-0086, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D058-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0086
  • 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 D058-0086 available by request