1359-0157 Screening compound: 5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE

1359-0157 Screening compound: 5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
1359-0157 Screening compound: 5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1359-0157
5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-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

1359-0157

Molecular Formula

C12H8N2O5 (C12 H8 N2 O5)

Compound Name

5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE

IUPAC name

n/a

SMILES

O=C(C(C(N1)=O)=Cc(cc2)cc3c2OCO3)NC1=O

InChI

InChI=1S/C12H8N2O5/c15-10-7(11(16)14-12(17)13-10)3-6-1-2-8-9(4-6)19-5-18-8/h1-4H,5H2,(H2,13,14,15,16,17)

InChI Key

NSJGTQPGBBWIIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00117930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.780

Distribution Coefficient, logD

0.432

Water Solubility, LogSw

-2.05

Polar Surface Area

79.759

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

1359-0157 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1359-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1359-0157?
Check Price and Availability of 1359-0157, 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 1359-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1359-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1359-0157
  • 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 1359-0157 available by request