0833-0802 Screening compound: 1-(4-nitrophenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole

0833-0802 Screening compound: 1-(4-nitrophenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
0833-0802 Screening compound: 1-(4-nitrophenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0802
1-(4-nitrophenyl)-3,5-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

0833-0802

Molecular Formula

C21H17N3O2 (C21 H17 N3 O2)

Compound Name

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

IUPAC name

1-(4-nitrophenyl)-35-diphenyl-45-dihydro-1H-pyrazole

SMILES

[O-][N+](c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1)=O

InChI

InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2/t21-/m0/s1

InChI Key

UJRZNOKABKPMIK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00227601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

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

5.510

Distribution Coefficient, logD

5.510

Water Solubility, LogSw

-5.96

Polar Surface Area

47.300

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

0833-0802 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 0833-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0802?
Check Price and Availability of 0833-0802, 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 0833-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0802
  • 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 0833-0802 available by request