0724-0081 Screening compound: 5-(2-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole

0724-0081 Screening compound: 5-(2-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
0724-0081 Screening compound: 5-(2-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0724-0081
5-(2-methoxyphenyl)-1,3-diphenyl-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

0724-0081

Molecular Formula

C22H20N2O (C22 H20 N2 O)

Compound Name

5-(2-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole

IUPAC name

5-(2-methoxyphenyl)-13-diphenyl-45-dihydro-1H-pyrazole

SMILES

COc1c(C(C2)N(c3ccccc3)N=C2c2ccccc2)cccc1

InChI

InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3/t21-/m0/s1

InChI Key

PUYJFJIIBMNMGD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00378308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

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

5.613

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.76

Polar Surface Area

21.549

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

0724-0081 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0724-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0724-0081?
Check Price and Availability of 0724-0081, 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 0724-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0724-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0724-0081
  • 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 0724-0081 available by request