0730-0018 Screening compound: 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole

0730-0018 Screening compound: 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
0730-0018 Screening compound: 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0730-0018
5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-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

0730-0018

Molecular Formula

C22H18FN3O3 (C22 H18 FN3 O3)

Compound Name

5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-45-dihydro-1H-pyrazole

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C22H18FN3O3/c1-29-20-12-4-15(5-13-20)21-14-22(16-2-6-17(23)7-3-16)25(24-21)18-8-10-19(11-9-18)26(27)28/h2-13,22H,14H2,1H3/t22-/m0/s1

InChI Key

MSIRABQRIMQEHD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00296784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-5.64

Polar Surface Area

54.844

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

0730-0018 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 0730-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0730-0018?
Check Price and Availability of 0730-0018, 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 0730-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0730-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0730-0018
  • 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 0730-0018 available by request