0327-0117 Screening compound: 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

0327-0117 Screening compound: 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
0327-0117 Screening compound: 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0327-0117
5-[(3,4-dimethoxyphenyl)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

0327-0117

Molecular Formula

C13H12N2O5 (C13 H12 N2 O5)

Compound Name

5-[(3,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(34-dimethoxyphenyl)methylidene]-13-diazinane-246-trione

SMILES

COc(ccc(C=C(C(NC(N1)=O)=O)C1=O)c1)c1OC

InChI

InChI=1S/C13H12N2O5/c1-19-9-4-3-7(6-10(9)20-2)5-8-11(16)14-13(18)15-12(8)17/h3-6H,1-2H3,(H2,14,15,16,17,18)

InChI Key

ISWHPQMMRBTZOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00117929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.482

Distribution Coefficient, logD

0.134

Water Solubility, LogSw

-1.94

Polar Surface Area

77.904

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

0327-0117 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 0327-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0327-0117?
Check Price and Availability of 0327-0117, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0327-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0327-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0327-0117
  • 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 0327-0117 available by request