3120-0252 Screening compound: 2-[1-(4-NITROPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL

3120-0252 Screening compound: 2-[1-(4-NITROPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
3120-0252 Screening compound: 2-[1-(4-NITROPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL alternative view

Chemical Structure Depiction of ChemDiv screening compound 3120-0252
2-[1-(4-NITROPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL

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

3120-0252

Molecular Formula

C21H17N3O3 (C21 H17 N3 O3)

Compound Name

2-[1-(4-NITROPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)ccc1N(C(C1)c(cccc2)c2O)N=C1c1ccccc1)=O

InChI

InChI=1S/C21H17N3O3/c25-21-9-5-4-8-18(21)20-14-19(15-6-2-1-3-7-15)22-23(20)16-10-12-17(13-11-16)24(26)27/h1-13,20,25H,14H2/t20-/m0/s1

InChI Key

MULMJULXBQRDJB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01176322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.41

Polar Surface Area

63.848

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

3120-0252 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3120-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3120-0252?
Check Price and Availability of 3120-0252, 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 3120-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3120-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3120-0252
  • 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 3120-0252 available by request