2368-0025 Screening compound: (5E)-5-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

2368-0025 Screening compound: (5E)-5-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
2368-0025 Screening compound: (5E)-5-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0025
(5E)-5-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-(3,5-dimethylphenyl)-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

2368-0025

Molecular Formula

C28H24Cl2N2O5 (C28 H24 Cl2 N2 O5)

Compound Name

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

IUPAC name

(5E)-5-({4-[(24-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-(35-dimethylphenyl)-13-diazinane-246-trione

SMILES

CCOc(cc(/C=C(\C(NC(N1c2cc(C)cc(C)c2)=O)=O)/C1=O)cc1)c1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C28H24Cl2N2O5/c1-4-36-25-13-18(5-8-24(25)37-15-19-6-7-20(29)14-23(19)30)12-22-26(33)31-28(35)32(27(22)34)21-10-16(2)9-17(3)11-21/h5-14H,4,15H2,1-3H3,(H,31,33,35)

InChI Key

OVEUAFSCDWEKKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.934

Distribution Coefficient, logD

5.918

Water Solubility, LogSw

-6.22

Polar Surface Area

67.915

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 2368-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
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Delivery formats for 2368-0025
  • 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 2368-0025 available by request