3958-2989 Screening compound: 1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione

3958-2989 Screening compound: 1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione
3958-2989 Screening compound: 1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3958-2989
1-(2-ethylphenyl)-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

3958-2989

Molecular Formula

C12H12N2O3 (C12 H12 N2 O3)

Compound Name

1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

1-(2-ethylphenyl)-13-diazinane-246-trione

SMILES

CCc(cccc1)c1N(C(CC(N1)=O)=O)C1=O

InChI

InChI=1S/C12H12N2O3/c1-2-8-5-3-4-6-9(8)14-11(16)7-10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17)

InChI Key

TYBRNGGSYFYIRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

-3.967

Water Solubility, LogSw

-2.10

Polar Surface Area

53.582

Acid Dissociation Constant (pKa)

2.63

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3958-2989 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 3958-2989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3958-2989?
Check Price and Availability of 3958-2989, 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 3958-2989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3958-2989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3958-2989
  • 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 3958-2989 available by request