8011-0503 Screening compound: 2-[1-(4-chlorophenyl)-5-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

8011-0503 Screening compound: 2-[1-(4-chlorophenyl)-5-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
8011-0503 Screening compound: 2-[1-(4-chlorophenyl)-5-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0503
2-[1-(4-chlorophenyl)-5-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)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

8011-0503

Molecular Formula

C26H25ClN4O3S (C26 H25 ClN4 O3 S)

Compound Name

2-[1-(4-chlorophenyl)-5-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

IUPAC name

2-[1-(4-chlorophenyl)-5-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2Cl)=O)N(Cc2cnccc2)C1=S)=O

InChI

InChI=1S/C26H25ClN4O3S/c1-2-14-34-22-11-7-20(8-12-22)29-24(32)15-23-25(33)31(21-9-5-19(27)6-10-21)26(35)30(23)17-18-4-3-13-28-16-18/h3-13,16,23H,2,14-15,17H2,1H3,(H,29,32)/t23-/m1/s1

InChI Key

UAOGIMPUYYNUET-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02647667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-4.29

Polar Surface Area

58.333

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

8011-0503 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 8011-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0503?
Check Price and Availability of 8011-0503, 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 8011-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0503
  • 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 8011-0503 available by request