5454-0227 Screening compound: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

5454-0227 Screening compound: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
5454-0227 Screening compound: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5454-0227
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

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

5454-0227

Molecular Formula

C22H19ClN2O (C22 H19 ClN2 O)

Compound Name

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

IUPAC name

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-45-dihydro-1H-pyrazole

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2Cl)=NN1c1ccccc1

InChI

InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3/t22-/m0/s1

InChI Key

NOCARNSZIVOOID-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00553516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.86

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.141

Distribution Coefficient, logD

6.141

Water Solubility, LogSw

-6.55

Polar Surface Area

21.462

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

5454-0227 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5454-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5454-0227?
Check Price and Availability of 5454-0227, 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 5454-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5454-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5454-0227
  • 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 5454-0227 available by request