3288-0504 Screening compound: 2-[(4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile

3288-0504 Screening compound: 2-[(4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
3288-0504 Screening compound: 2-[(4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0504
2-[(4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile

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

3288-0504

Molecular Formula

C26H18FN3O5 (C26 H18 FN3 O5)

Compound Name

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

IUPAC name

2-[(4-{[(5E)-1-(4-fluorophenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile

SMILES

COc(cc(/C=C(\C(NC(N1c(cc2)ccc2F)=O)=O)/C1=O)cc1)c1OCc(cccc1)c1C#N

InChI

InChI=1S/C26H18FN3O5/c1-34-23-13-16(6-11-22(23)35-15-18-5-3-2-4-17(18)14-28)12-21-24(31)29-26(33)30(25(21)32)20-9-7-19(27)8-10-20/h2-13H,15H2,1H3,(H,29,31,33)

InChI Key

HBVAFYZQJJGYPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.61

Polar Surface Area

85.392

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 3288-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0504?
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What is the minimum amount of 3288-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0504
  • 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 3288-0504 available by request