2401-0058 Screening compound: 5-(2-nitrophenyl)-3-phenyl-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

2401-0058 Screening compound: 5-(2-nitrophenyl)-3-phenyl-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole
2401-0058 Screening compound: 5-(2-nitrophenyl)-3-phenyl-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2401-0058
5-(2-nitrophenyl)-3-phenyl-1-(3,4,5-trimethoxybenzoyl)-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

2401-0058

Molecular Formula

C25H23N3O6 (C25 H23 N3 O6)

Compound Name

5-(2-nitrophenyl)-3-phenyl-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

IUPAC name

5-(2-nitrophenyl)-3-phenyl-1-(345-trimethoxybenzoyl)-45-dihydro-1H-pyrazole

SMILES

COc1cc(C(N(C(C2)c(cccc3)c3[N+]([O-])=O)N=C2c2ccccc2)=O)cc(OC)c1OC

InChI

InChI=1S/C25H23N3O6/c1-32-22-13-17(14-23(33-2)24(22)34-3)25(29)27-21(18-11-7-8-12-20(18)28(30)31)15-19(26-27)16-9-5-4-6-10-16/h4-14,21H,15H2,1-3H3/t21-/m0/s1

InChI Key

APMJNZBSKWKRDS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02084480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.46

Polar Surface Area

83.173

Acid Dissociation Constant (pKa)

17.39

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

2401-0058 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2401-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2401-0058?
Check Price and Availability of 2401-0058, 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 2401-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2401-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2401-0058
  • 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 2401-0058 available by request