4490-1026 Screening compound: ethyl 2-(4-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate

4490-1026 Screening compound: ethyl 2-(4-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
4490-1026 Screening compound: ethyl 2-(4-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1026
ethyl 2-(4-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-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

4490-1026

Molecular Formula

C24H24N2O7 (C24 H24 N2 O7)

Compound Name

ethyl 2-(4-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate

IUPAC name

ethyl 2-(4-{[(5E)-1-(35-dimethylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate

SMILES

CCOC(COc(ccc(/C=C(\C(NC(N1c2cc(C)cc(C)c2)=O)=O)/C1=O)c1)c1OC)=O

InChI

InChI=1S/C24H24N2O7/c1-5-32-21(27)13-33-19-7-6-16(12-20(19)31-4)11-18-22(28)25-24(30)26(23(18)29)17-9-14(2)8-15(3)10-17/h6-12H,5,13H2,1-4H3,(H,25,28,30)

InChI Key

KRVKFWYOIGSCKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.25

Polar Surface Area

88.766

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4490-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1026?
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What is the minimum amount of 4490-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1026
  • 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 4490-1026 available by request