3935-1462 Screening compound: 2-methylpropyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

3935-1462 Screening compound: 2-methylpropyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
3935-1462 Screening compound: 2-methylpropyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-1462
2-methylpropyl 3-(4-methoxyphenyl)-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

3935-1462

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

2-methylpropyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

IUPAC name

2-methylpropyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

SMILES

CC(C)COC(c1cn(-c2ccccc2)nc1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C21H22N2O3/c1-15(2)14-26-21(24)19-13-23(17-7-5-4-6-8-17)22-20(19)16-9-11-18(25-3)12-10-16/h4-13,15H,14H2,1-3H3

InChI Key

WICYBAPXEDPNDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02724593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-4.57

Polar Surface Area

43.544

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3935-1462 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3935-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-1462?
Check Price and Availability of 3935-1462, 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 3935-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-1462
  • 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 3935-1462 available by request