5762-2076 Screening compound: ethyl 2-(4-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

5762-2076 Screening compound: ethyl 2-(4-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate
5762-2076 Screening compound: ethyl 2-(4-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5762-2076
ethyl 2-(4-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)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

5762-2076

Molecular Formula

C21H19ClN2O6 (C21 H19 ClN2 O6)

Compound Name

ethyl 2-(4-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

IUPAC name

ethyl 2-(4-{[(4E)-1-(3-chlorophenyl)-25-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

SMILES

CCOC(COc(ccc(/C=C(\C(N1c2cccc(Cl)c2)=O)/NC1=O)c1)c1OC)=O

InChI

InChI=1S/C21H19ClN2O6/c1-3-29-19(25)12-30-17-8-7-13(10-18(17)28-2)9-16-20(26)24(21(27)23-16)15-6-4-5-14(22)11-15/h4-11H,3,12H2,1-2H3,(H,23,27)

InChI Key

QKVXTWRZMGRHCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04486061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.928

Water Solubility, LogSw

-3.64

Polar Surface Area

75.434

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5762-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5762-2076?
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What is the minimum amount of 5762-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5762-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5762-2076
  • 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 5762-2076 available by request