3619-0003 Screening compound: 5-{[4-(2-methylpropoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

3619-0003 Screening compound: 5-{[4-(2-methylpropoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
3619-0003 Screening compound: 5-{[4-(2-methylpropoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3619-0003
5-{[4-(2-methylpropoxy)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

3619-0003

Molecular Formula

C15H16N2O4 (C15 H16 N2 O4)

Compound Name

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

IUPAC name

5-{[4-(2-methylpropoxy)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CC(C)COc1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C15H16N2O4/c1-9(2)8-21-11-5-3-10(4-6-11)7-12-13(18)16-15(20)17-14(12)19/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19,20)

InChI Key

SXWHEVPTXUJYSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.3

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

2.165

Distribution Coefficient, logD

1.818

Water Solubility, LogSw

-2.80

Polar Surface Area

70.142

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

3619-0003 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 3619-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3619-0003?
Check Price and Availability of 3619-0003, 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 3619-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3619-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3619-0003
  • 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 3619-0003 available by request