8019-4626 Screening compound: 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid

8019-4626 Screening compound: 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid
8019-4626 Screening compound: 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4626
3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid

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

8019-4626

Molecular Formula

C12H12N2O3 (C12 H12 N2 O3)

Compound Name

3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid

IUPAC name

3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid

SMILES

CCOc(cc1)ccc1-c1n[nH]c(C(O)=O)c1

InChI

InChI=1S/C12H12N2O3/c1-2-17-9-5-3-8(4-6-9)10-7-11(12(15)16)14-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)

InChI Key

PCCOHUMOXQWQTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

-2.900

Water Solubility, LogSw

-2.63

Polar Surface Area

58.260

Acid Dissociation Constant (pKa)

2.14

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8019-4626 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-4626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4626?
Check Price and Availability of 8019-4626, 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 8019-4626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4626
  • 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 8019-4626 available by request