5593-0158 Screening compound: N-(4-methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide

5593-0158 Screening compound: N-(4-methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide
5593-0158 Screening compound: N-(4-methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0158
N-(4-methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide

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

5593-0158

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

N-(4-methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide

IUPAC name

N-(4-methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide

SMILES

CN(C(C(CC(Nc(cc1)ccc1OC)=O)N1CCc(cc2)ccc2OC)=O)C1=S

InChI

InChI=1S/C22H25N3O4S/c1-24-21(27)19(14-20(26)23-16-6-10-18(29-3)11-7-16)25(22(24)30)13-12-15-4-8-17(28-2)9-5-15/h4-11,19H,12-14H2,1-3H3,(H,23,26)/t19-/m1/s1

InChI Key

KLZNFDDXLDAXKF-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02142602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-3.19

Polar Surface Area

57.112

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5593-0158 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5593-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0158?
Check Price and Availability of 5593-0158, 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 5593-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0158
  • 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 5593-0158 available by request