1499-0072 Screening compound: 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

1499-0072 Screening compound: 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
1499-0072 Screening compound: 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-0072
5-[(4-hydroxyphenyl)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

1499-0072

Molecular Formula

C11H8N2O4 (C11 H8 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Oc1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C11H8N2O4/c14-7-3-1-6(2-4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17)

InChI Key

KSOJQSBHVKAHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00117979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.263

Distribution Coefficient, logD

-0.084

Water Solubility, LogSw

-1.71

Polar Surface Area

80.260

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1499-0072 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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

References: we are preparing a list of scientific research reports with 1499-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-0072?
Check Price and Availability of 1499-0072, 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 1499-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-0072
  • 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 1499-0072 available by request