2368-0026 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

2368-0026 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
2368-0026 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0026
(5E)-1-(3,5-dimethylphenyl)-5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

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

2368-0026

Molecular Formula

C28H25N3O7 (C28 H25 N3 O7)

Compound Name

(5E)-1-(3,5-dimethylphenyl)-5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(35-dimethylphenyl)-5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-13-diazinane-246-trione

SMILES

CCOc(cc(/C=C(\C(NC(N1c2cc(C)cc(C)c2)=O)=O)/C1=O)cc1)c1OCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C28H25N3O7/c1-4-37-25-15-20(7-10-24(25)38-16-19-5-8-21(9-6-19)31(35)36)14-23-26(32)29-28(34)30(27(23)33)22-12-17(2)11-18(3)13-22/h5-15H,4,16H2,1-3H3,(H,29,32,34)

InChI Key

VZDIHWHPCKSADL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.635

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.69

Polar Surface Area

101.297

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 2368-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0026?
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What is the minimum amount of 2368-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0026
  • 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 2368-0026 available by request