4724-2905 Screening compound: 1-(3-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

4724-2905 Screening compound: 1-(3-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
4724-2905 Screening compound: 1-(3-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4724-2905
1-(3-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

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

4724-2905

Molecular Formula

C10H7FN2O3 (C10 H7 FN2 O3)

Compound Name

1-(3-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

IUPAC name

1-(3-fluorophenyl)-13-diazinane-246-trione

SMILES

O=C(CC(N1c2cccc(F)c2)=O)NC1=O

InChI

InChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)

InChI Key

AMIMXOMZGDENSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02193839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.082

Distribution Coefficient, logD

-5.079

Water Solubility, LogSw

-2.02

Polar Surface Area

53.883

Acid Dissociation Constant (pKa)

2.24

Base Dissociation Constant (pKb)

-6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4724-2905 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4724-2905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4724-2905?
Check Price and Availability of 4724-2905, 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 4724-2905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4724-2905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4724-2905
  • 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 4724-2905 available by request