8020-0453 Screening compound: methyl 2-[5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-3-yl]acetate

8020-0453 Screening compound: methyl 2-[5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-3-yl]acetate
8020-0453 Screening compound: methyl 2-[5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0453
methyl 2-[5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-3-yl]acetate

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

8020-0453

Molecular Formula

C13H14N2O3 (C13 H14 N2 O3)

Compound Name

methyl 2-[5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-3-yl]acetate

IUPAC name

methyl 2-[5-hydroxy-1-(2-methylphenyl)-1H-pyrazol-3-yl]acetate

SMILES

Cc(cccc1)c1-n1nc(CC(OC)=O)cc1O

InChI

InChI=1S/C13H14N2O3/c1-9-5-3-4-6-11(9)15-12(16)7-10(14-15)8-13(17)18-2/h3-7,16H,8H2,1-2H3

InChI Key

AZTCXLQCLCLEAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11852618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.377

Water Solubility, LogSw

-1.89

Polar Surface Area

51.577

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8020-0453 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 8020-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0453?
Check Price and Availability of 8020-0453, 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 8020-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0453
  • 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 8020-0453 available by request