5518-1988 Screening compound: N-(4-methoxyphenyl)-2-{5-oxo-1-phenyl-3-[2-(pyridin-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-yl}acetamide

5518-1988 Screening compound: N-(4-methoxyphenyl)-2-{5-oxo-1-phenyl-3-[2-(pyridin-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-yl}acetamide
5518-1988 Screening compound: N-(4-methoxyphenyl)-2-{5-oxo-1-phenyl-3-[2-(pyridin-2-yl)ethyl]-2-sulfanylideneimidazolidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5518-1988
N-(4-methoxyphenyl)-2-{5-oxo-1-phenyl-3-[2-(pyridin-2-yl)ethyl]-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

5518-1988

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CC(C(N1c2ccccc2)=O)N(CCc2ncccc2)C1=S)=O

InChI

InChI=1S/C25H24N4O3S/c1-32-21-12-10-19(11-13-21)27-23(30)17-22-24(31)29(20-8-3-2-4-9-20)25(33)28(22)16-14-18-7-5-6-15-26-18/h2-13,15,22H,14,16-17H2,1H3,(H,27,30)/t22-/m1/s1

InChI Key

STUGPOIOLMSIHI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03373372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

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

2.863

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.61

Polar Surface Area

58.462

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5518-1988 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 5518-1988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5518-1988?
Check Price and Availability of 5518-1988, 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 5518-1988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5518-1988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5518-1988
  • 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 5518-1988 available by request