5371-3944 Screening compound: 4-[(2-ethoxy-4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

5371-3944 Screening compound: 4-[(2-ethoxy-4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid
5371-3944 Screening compound: 4-[(2-ethoxy-4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5371-3944
4-[(2-ethoxy-4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

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

5371-3944

Molecular Formula

C21H20N2O5S (C21 H20 N2 O5 S)

Compound Name

4-[(2-ethoxy-4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

IUPAC name

4-[(2-ethoxy-4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

SMILES

CCOc(cc(/C=C(/C(N1C)=O)\NC1=S)cc1)c1OCc(cc1)ccc1C(O)=O

InChI

InChI=1S/C21H20N2O5S/c1-3-27-18-11-14(10-16-19(24)23(2)21(29)22-16)6-9-17(18)28-12-13-4-7-15(8-5-13)20(25)26/h4-11H,3,12H2,1-2H3,(H,22,29)(H,25,26)

InChI Key

HVTOIVQOEICGBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03138422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

0.063

Water Solubility, LogSw

-3.32

Polar Surface Area

70.478

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5371-3944 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 5371-3944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5371-3944?
Check Price and Availability of 5371-3944, 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 5371-3944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5371-3944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5371-3944
  • 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 5371-3944 available by request