4098-2233 Screening compound: 2-(2-ethoxy-4-{[(4Z)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid

4098-2233 Screening compound: 2-(2-ethoxy-4-{[(4Z)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid
4098-2233 Screening compound: 2-(2-ethoxy-4-{[(4Z)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4098-2233
2-(2-ethoxy-4-{[(4Z)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic 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

4098-2233

Molecular Formula

C21H20N2O6S (C21 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(/C(N1c(cc2)ccc2OC)=O)\NC1=S)cc1)c1OCC(O)=O

InChI

InChI=1S/C21H20N2O6S/c1-3-28-18-11-13(4-9-17(18)29-12-19(24)25)10-16-20(26)23(21(30)22-16)14-5-7-15(27-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,22,30)(H,24,25)

InChI Key

BNDTVJOMIWSCLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

-1.829

Water Solubility, LogSw

-2.91

Polar Surface Area

77.620

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4098-2233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4098-2233?
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What is the minimum amount of 4098-2233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4098-2233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4098-2233
  • 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 4098-2233 available by request