8018-9152 Screening compound: 1-(1,3-benzodioxol-5-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione

8018-9152 Screening compound: 1-(1,3-benzodioxol-5-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione
8018-9152 Screening compound: 1-(1,3-benzodioxol-5-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9152
1-(1,3-benzodioxol-5-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione

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

8018-9152

Molecular Formula

C12H10N2O4 (C12 H10 N2 O4)

Compound Name

1-(1,3-benzodioxol-5-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione

IUPAC name

1-(2H-13-benzodioxol-5-yl)-6-methyl-1234-tetrahydropyrimidine-24-dione

SMILES

CC(N(c(cc1)cc2c1OCO2)C(N1)=O)=CC1=O

InChI

InChI=1S/C12H10N2O4/c1-7-4-11(15)13-12(16)14(7)8-2-3-9-10(5-8)18-6-17-9/h2-5H,6H2,1H3,(H,13,15,16)

InChI Key

ZUWBATOZVDKQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.282

Distribution Coefficient, logD

1.276

Water Solubility, LogSw

-2.15

Polar Surface Area

56.751

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8018-9152 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 8018-9152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9152?
Check Price and Availability of 8018-9152, 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 8018-9152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9152
  • 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 8018-9152 available by request