3966-4794 Screening compound: 5-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

3966-4794 Screening compound: 5-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
3966-4794 Screening compound: 5-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4794
5-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

3966-4794

Molecular Formula

C12H12N2O2 (C12 H12 N2 O2)

Compound Name

5-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-benzyl-6-methyl-1234-tetrahydropyrimidine-24-dione

SMILES

CC(NC(N1)=O)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C12H12N2O2/c1-8-10(11(15)14-12(16)13-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15,16)

InChI Key

GRUQJQSTHUDUKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02639733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.566

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-1.86

Polar Surface Area

48.501

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

3966-4794 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3966-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4794?
Check Price and Availability of 3966-4794, 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 3966-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4794
  • 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 3966-4794 available by request