3509-0111 Screening compound: 5-[(4-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

3509-0111 Screening compound: 5-[(4-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
3509-0111 Screening compound: 5-[(4-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3509-0111
5-[(4-propoxyphenyl)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

3509-0111

Molecular Formula

C14H14N2O4 (C14 H14 N2 O4)

Compound Name

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

IUPAC name

5-[(4-propoxyphenyl)methylidene]-13-diazinane-246-trione

SMILES

CCCOc1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C14H14N2O4/c1-2-7-20-10-5-3-9(4-6-10)8-11-12(17)15-14(19)16-13(11)18/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19)

InChI Key

UBKXCWMMMQFXJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00838424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.28

Polar Surface Area

70.061

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3509-0111 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3509-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3509-0111?
Check Price and Availability of 3509-0111, 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 3509-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3509-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3509-0111
  • 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 3509-0111 available by request