3339-2406 Screening compound: 3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole

3339-2406 Screening compound: 3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole
3339-2406 Screening compound: 3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-2406
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-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

3339-2406

Molecular Formula

C23H18ClN3O4 (C23 H18 ClN3 O4)

Compound Name

3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole

IUPAC name

3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-45-dihydro-1H-pyrazole

SMILES

COc1ccc(C(C2)N(C(c3cc([N+]([O-])=O)ccc3)=O)N=C2c(cc2)ccc2Cl)cc1

InChI

InChI=1S/C23H18ClN3O4/c1-31-20-11-7-16(8-12-20)22-14-21(15-5-9-18(24)10-6-15)25-26(22)23(28)17-3-2-4-19(13-17)27(29)30/h2-13,22H,14H2,1H3/t22-/m1/s1

InChI Key

YGOJJDOCKUXRAW-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04416299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

5.511

Water Solubility, LogSw

-6.28

Polar Surface Area

68.040

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

3339-2406 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3339-2406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-2406?
Check Price and Availability of 3339-2406, 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 3339-2406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-2406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-2406
  • 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 3339-2406 available by request