4052-4477 Screening compound: 1-benzoyl-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

4052-4477 Screening compound: 1-benzoyl-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
4052-4477 Screening compound: 1-benzoyl-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4477
1-benzoyl-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-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

4052-4477

Molecular Formula

C25H24N2O4 (C25 H24 N2 O4)

Compound Name

1-benzoyl-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

1-benzoyl-3-(34-dimethoxyphenyl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazole

SMILES

COc1ccc(C(C2)N(C(c3ccccc3)=O)N=C2c(cc2)cc(OC)c2OC)cc1

InChI

InChI=1S/C25H24N2O4/c1-29-20-12-9-17(10-13-20)22-16-21(19-11-14-23(30-2)24(15-19)31-3)26-27(22)25(28)18-7-5-4-6-8-18/h4-15,22H,16H2,1-3H3/t22-/m0/s1

InChI Key

SYZMDNSLXOPPRV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03001079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.47

Polar Surface Area

49.919

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4052-4477 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro
Targets:
  • Proteases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4052-4477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4477?
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What is the minimum amount of 4052-4477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4477
  • 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 4052-4477 available by request