5777-0213 Screening compound: ethyl 2-(4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

5777-0213 Screening compound: ethyl 2-(4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate
5777-0213 Screening compound: ethyl 2-(4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5777-0213
ethyl 2-(4-{[(4Z)-1-ethyl-5-oxo-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

5777-0213

Molecular Formula

C16H18N2O4S (C16 H18 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-3-18-15(20)13(17-16(18)23)9-11-5-7-12(8-6-11)22-10-14(19)21-4-2/h5-9H,3-4,10H2,1-2H3,(H,17,23)

InChI Key

ALIZMWHXZFYRIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.154

Distribution Coefficient, logD

2.151

Water Solubility, LogSw

-2.74

Polar Surface Area

55.162

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

5777-0213 in Drug Discovery

Included in Screening Libraries

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 5777-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5777-0213?
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What is the minimum amount of 5777-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5777-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5777-0213
  • 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 5777-0213 available by request