4395-0017 Screening compound: 4-propanoylphenyl 1,3-diphenyl-1H-pyrazole-4-carboxylate

4395-0017 Screening compound: 4-propanoylphenyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
4395-0017 Screening compound: 4-propanoylphenyl 1,3-diphenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4395-0017
4-propanoylphenyl 1,3-diphenyl-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

4395-0017

Molecular Formula

C25H20N2O3 (C25 H20 N2 O3)

Compound Name

4-propanoylphenyl 1,3-diphenyl-1H-pyrazole-4-carboxylate

IUPAC name

4-propanoylphenyl 13-diphenyl-1H-pyrazole-4-carboxylate

SMILES

CCC(c(cc1)ccc1OC(c1cn(-c2ccccc2)nc1-c1ccccc1)=O)=O

InChI

InChI=1S/C25H20N2O3/c1-2-23(28)18-13-15-21(16-14-18)30-25(29)22-17-27(20-11-7-4-8-12-20)26-24(22)19-9-5-3-6-10-19/h3-17H,2H2,1H3

InChI Key

ZJSLVBZABINZOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.57

Polar Surface Area

48.496

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4395-0017 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4395-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4395-0017?
Check Price and Availability of 4395-0017, 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 4395-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4395-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4395-0017
  • 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 4395-0017 available by request