C796-0470 Screening compound: methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate

C796-0470 Screening compound: methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
C796-0470 Screening compound: methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0470
methyl 3-(4-ethoxyphenyl)-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

C796-0470

Molecular Formula

C13H14N2O3 (C13 H14 N2 O3)

Compound Name

methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate

IUPAC name

methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate

SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-3-18-10-6-4-9(5-7-10)11-8-12(15-14-11)13(16)17-2/h4-8H,3H2,1-2H3,(H,14,15)

InChI Key

JMEPAPLKSXTCMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05679083

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.30

Polar Surface Area

51.026

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C796-0470 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C796-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0470?
Check Price and Availability of C796-0470, 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 C796-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0470
  • 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 C796-0470 available by request