D058-0083 Screening compound: 5-benzyl-2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one

D058-0083 Screening compound: 5-benzyl-2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one
D058-0083 Screening compound: 5-benzyl-2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0083
5-benzyl-2-{[2-(4-chlorophenoxy)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

D058-0083

Molecular Formula

C20H19ClN2O2S (C20 H19 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C(N1)SCCOc(cc2)ccc2Cl)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C20H19ClN2O2S/c1-14-18(13-15-5-3-2-4-6-15)19(24)23-20(22-14)26-12-11-25-17-9-7-16(21)8-10-17/h2-10H,11-13H2,1H3,(H,22,23,24)

InChI Key

OWSMUHWTSGNRAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.70

Polar Surface Area

41.299

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D058-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0083?
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What is the minimum amount of D058-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0083
  • 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 D058-0083 available by request