8020-2681 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

8020-2681 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole
8020-2681 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2681
3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

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

8020-2681

Molecular Formula

C10H8N2O2 (C10 H8 N2 O2)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1H-pyrazole

SMILES

C1Oc(cc(cc2)-c3n[nH]cc3)c2O1

InChI

InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)

InChI Key

LOPAFWMOCZGHFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03618498

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

188.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.65

Polar Surface Area

40.684

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8020-2681 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-2681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2681?
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What is the minimum amount of 8020-2681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2681
  • 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 8020-2681 available by request