5790-2376 Screening compound: ethyl 2-(4-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

5790-2376 Screening compound: ethyl 2-(4-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate
5790-2376 Screening compound: ethyl 2-(4-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5790-2376
ethyl 2-(4-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

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

5790-2376

Molecular Formula

C17H20N2O4S (C17 H20 N2 O4 S)

Compound Name

ethyl 2-(4-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

IUPAC name

ethyl 2-(4-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

SMILES

CCCN(C(/C(/N1)=C/c(cc2)ccc2OCC(OCC)=O)=O)C1=S

InChI

InChI=1S/C17H20N2O4S/c1-3-9-19-16(21)14(18-17(19)24)10-12-5-7-13(8-6-12)23-11-15(20)22-4-2/h5-8,10H,3-4,9,11H2,1-2H3,(H,18,24)

InChI Key

FEQLCHHILJGYDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04086856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-3.04

Polar Surface Area

55.416

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

5790-2376 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5790-2376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5790-2376?
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What is the minimum amount of 5790-2376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5790-2376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5790-2376
  • 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 5790-2376 available by request