C430-0681 Screening compound: ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

C430-0681 Screening compound: ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
C430-0681 Screening compound: ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0681
ethyl 5-methyl-1-phenyl-1H-pyrazole-4-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

C430-0681

Molecular Formula

C13H14N2O2 (C13 H14 N2 O2)

Compound Name

ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

SMILES

CCOC(c1c(C)n(-c2ccccc2)nc1)=O

InChI

InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3

InChI Key

XYIOIOHRWLZCDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00020741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.06

Polar Surface Area

35.057

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C430-0681 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 C430-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0681?
Check Price and Availability of C430-0681, 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 C430-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0681
  • 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 C430-0681 available by request