2368-0020 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

2368-0020 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
2368-0020 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0020
(5E)-1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)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

2368-0020

Molecular Formula

C25H18N4O8 (C25 H18 N4 O8)

Compound Name

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

IUPAC name

(5E)-1-(35-dimethylphenyl)-5-{[4-(24-dinitrophenoxy)phenyl]methylidene}-13-diazinane-246-trione

SMILES

Cc1cc(N(C(/C(/C(N2)=O)=C/c(cc3)ccc3Oc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)=O)C2=O)cc(C)c1

InChI

InChI=1S/C25H18N4O8/c1-14-9-15(2)11-18(10-14)27-24(31)20(23(30)26-25(27)32)12-16-3-6-19(7-4-16)37-22-8-5-17(28(33)34)13-21(22)29(35)36/h3-13H,1-2H3,(H,26,30,32)

InChI Key

WJAUHKQUYKYXRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.44

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.466

Water Solubility, LogSw

-4.53

Polar Surface Area

126.687

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 2368-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0020?
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What is the minimum amount of 2368-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0020
  • 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 2368-0020 available by request