8014-1738 Screening compound: 4-chloro-N-(5-{[(4-ethoxyphenyl)carbamoyl]methyl}-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)benzamide

8014-1738 Screening compound: 4-chloro-N-(5-{[(4-ethoxyphenyl)carbamoyl]methyl}-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)benzamide
8014-1738 Screening compound: 4-chloro-N-(5-{[(4-ethoxyphenyl)carbamoyl]methyl}-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1738
4-chloro-N-(5-{[(4-ethoxyphenyl)carbamoyl]methyl}-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)benzamide

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

8014-1738

Molecular Formula

C22H23ClN4O4S (C22 H23 ClN4 O4 S)

Compound Name

4-chloro-N-(5-{[(4-ethoxyphenyl)carbamoyl]methyl}-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)benzamide

IUPAC name

4-chloro-N-(5-{[(4-ethoxyphenyl)carbamoyl]methyl}-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)benzamide

SMILES

CCN(C(C(CC(Nc(cc1)ccc1OCC)=O)N1NC(c(cc2)ccc2Cl)=O)=O)C1=S

InChI

InChI=1S/C22H23ClN4O4S/c1-3-26-21(30)18(13-19(28)24-16-9-11-17(12-10-16)31-4-2)27(22(26)32)25-20(29)14-5-7-15(23)8-6-14/h5-12,18H,3-4,13H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1

InChI Key

UCRMUCRRFIYZTR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02143390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

-2.905

Water Solubility, LogSw

-3.78

Polar Surface Area

75.530

Acid Dissociation Constant (pKa)

1.51

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8014-1738 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8014-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1738?
Check Price and Availability of 8014-1738, 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 8014-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1738
  • 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 8014-1738 available by request