0326-0517 Screening compound: 5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

0326-0517 Screening compound: 5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
0326-0517 Screening compound: 5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0326-0517
5-{[4-(dimethylamino)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

0326-0517

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

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

IUPAC name

5-{[4-(dimethylamino)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CN(C)c1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C13H13N3O3/c1-16(2)9-5-3-8(4-6-9)7-10-11(17)14-13(19)15-12(10)18/h3-7H,1-2H3,(H2,14,15,17,18,19)

InChI Key

NAPLVLRBYHFCJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00117960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.973

Distribution Coefficient, logD

0.626

Water Solubility, LogSw

-2.04

Polar Surface Area

65.448

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

0326-0517 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0326-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0326-0517?
Check Price and Availability of 0326-0517, 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 0326-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0326-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0326-0517
  • 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 0326-0517 available by request