8020-2697 Screening compound: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate

8020-2697 Screening compound: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate
8020-2697 Screening compound: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2697
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate

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

8020-2697

Molecular Formula

C13H12N2O4 (C13 H12 N2 O4)

Compound Name

methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate

IUPAC name

methyl 3-(23-dihydro-14-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate

SMILES

COC(c1cc(-c(cc2)cc3c2OCCO3)n[nH]1)=O

InChI

InChI=1S/C13H12N2O4/c1-17-13(16)10-7-9(14-15-10)8-2-3-11-12(6-8)19-5-4-18-11/h2-3,6-7H,4-5H2,1H3,(H,14,15)

InChI Key

IFNBKFLLENDCDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.568

Water Solubility, LogSw

-2.05

Polar Surface Area

59.725

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8020-2697 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8020-2697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2697?
Check Price and Availability of 8020-2697, 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 8020-2697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2697
  • 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 8020-2697 available by request