8019-6568 Screening compound: 1-[3-acetyl-1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

8019-6568 Screening compound: 1-[3-acetyl-1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
8019-6568 Screening compound: 1-[3-acetyl-1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6568
1-[3-acetyl-1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

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

8019-6568

Molecular Formula

C15H14N2O4 (C15 H14 N2 O4)

Compound Name

1-[3-acetyl-1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

IUPAC name

1-[3-acetyl-1-(2H-13-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

SMILES

CC(c1c(C)n(-c(cc2)cc3c2OCO3)nc1C(C)=O)=O

InChI

InChI=1S/C15H14N2O4/c1-8-14(9(2)18)15(10(3)19)16-17(8)11-4-5-12-13(6-11)21-7-20-12/h4-6H,7H2,1-3H3

InChI Key

ZHBITGLCXOUARW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.752

Water Solubility, LogSw

-2.18

Polar Surface Area

59.619

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8019-6568 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-6568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6568?
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What is the minimum amount of 8019-6568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6568
  • 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 8019-6568 available by request