5777-0622 Screening compound: 2-(4-{[(4Z)-1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid

5777-0622 Screening compound: 2-(4-{[(4Z)-1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid
5777-0622 Screening compound: 2-(4-{[(4Z)-1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5777-0622
2-(4-{[(4Z)-1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)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

5777-0622

Molecular Formula

C22H22N2O6S (C22 H22 N2 O6 S)

Compound Name

2-(4-{[(4Z)-1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid

IUPAC name

2-(4-{[(4Z)-1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid

SMILES

CCOc(cc1)ccc1N(C(/C(/N1C)=C/c(cc2)cc(OC)c2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C22H22N2O6S/c1-4-29-16-8-6-15(7-9-16)24-21(27)17(23(2)22(24)31)11-14-5-10-18(19(12-14)28-3)30-13-20(25)26/h5-12H,4,13H2,1-3H3,(H,25,26)

InChI Key

IIKXYFFRLKFACN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

-1.767

Water Solubility, LogSw

-2.71

Polar Surface Area

68.025

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 5777-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5777-0622?
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What is the minimum amount of 5777-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5777-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5777-0622
  • 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 5777-0622 available by request