8019-8234 Screening compound: 4-(1,3-benzodioxol-5-yl)-1,2,4-triazolane-3,5-dione

8019-8234 Screening compound: 4-(1,3-benzodioxol-5-yl)-1,2,4-triazolane-3,5-dione
8019-8234 Screening compound: 4-(1,3-benzodioxol-5-yl)-1,2,4-triazolane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8234
4-(1,3-benzodioxol-5-yl)-1,2,4-triazolane-3,5-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

8019-8234

Molecular Formula

C9H7N3O4 (C9 H7 N3 O4)

Compound Name

4-(1,3-benzodioxol-5-yl)-1,2,4-triazolane-3,5-dione

IUPAC name

4-(2H-13-benzodioxol-5-yl)-124-triazolidine-35-dione

SMILES

O=C(NNC1=O)N1c(cc1)cc2c1OCO2

InChI

InChI=1S/C9H7N3O4/c13-8-10-11-9(14)12(8)5-1-2-6-7(3-5)16-4-15-6/h1-3H,4H2,(H,10,13)(H,11,14)

InChI Key

GSVWLLKZQHIXKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.597

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-2.00

Polar Surface Area

73.601

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8019-8234 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-8234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8234?
Check Price and Availability of 8019-8234, 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 8019-8234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8234
  • 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 8019-8234 available by request