2516-2698 Screening compound: 5-(4-fluorophenyl)-3-(4-methylphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole

2516-2698 Screening compound: 5-(4-fluorophenyl)-3-(4-methylphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
2516-2698 Screening compound: 5-(4-fluorophenyl)-3-(4-methylphenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-2698
5-(4-fluorophenyl)-3-(4-methylphenyl)-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

2516-2698

Molecular Formula

C22H18FN3O2 (C22 H18 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H18FN3O2/c1-15-2-4-16(5-3-15)21-14-22(17-6-8-18(23)9-7-17)25(24-21)19-10-12-20(13-11-19)26(27)28/h2-13,22H,14H2,1H3/t22-/m0/s1

InChI Key

XHDZZNNAKUQPBX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00295979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.063

Distribution Coefficient, logD

6.063

Water Solubility, LogSw

-5.74

Polar Surface Area

47.300

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

2516-2698 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 2516-2698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-2698?
Check Price and Availability of 2516-2698, 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 2516-2698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-2698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-2698
  • 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 2516-2698 available by request