5552-1171 Screening compound: 2-(2-ethoxy-4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

5552-1171 Screening compound: 2-(2-ethoxy-4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
5552-1171 Screening compound: 2-(2-ethoxy-4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5552-1171
2-(2-ethoxy-4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic 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

5552-1171

Molecular Formula

C24H24N2O8 (C24 H24 N2 O8)

Compound Name

2-(2-ethoxy-4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

IUPAC name

2-(2-ethoxy-4-{[(5Z)-1-(3-ethoxyphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

SMILES

CCOc1cccc(N(C(/C(/C(N2)=O)=C\c(cc3)cc(OCC)c3OC(C)C(O)=O)=O)C2=O)c1

InChI

InChI=1S/C24H24N2O8/c1-4-32-17-8-6-7-16(13-17)26-22(28)18(21(27)25-24(26)31)11-15-9-10-19(20(12-15)33-5-2)34-14(3)23(29)30/h6-14H,4-5H2,1-3H3,(H,29,30)(H,25,27,31)/t14-/m0/s1

InChI Key

TZCZYEMKILXHCU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03704810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

-1.416

Water Solubility, LogSw

-3.04

Polar Surface Area

103.008

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5552-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5552-1171?
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What is the minimum amount of 5552-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5552-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5552-1171
  • 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 5552-1171 available by request