4052-4475 Screening compound: 4-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline

4052-4475 Screening compound: 4-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline
4052-4475 Screening compound: 4-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4475
4-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline

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

4052-4475

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

4-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline

IUPAC name

4-[1-benzoyl-3-(34-dimethoxyphenyl)-45-dihydro-1H-pyrazol-5-yl]-NN-dimethylaniline

SMILES

CN(C)c1ccc(C(C2)N(C(c3ccccc3)=O)N=C2c(cc2)cc(OC)c2OC)cc1

InChI

InChI=1S/C26H27N3O3/c1-28(2)21-13-10-18(11-14-21)23-17-22(20-12-15-24(31-3)25(16-20)32-4)27-29(23)26(30)19-8-6-5-7-9-19/h5-16,23H,17H2,1-4H3/t23-/m0/s1

InChI Key

FVAXLNLKTOJRHJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03283914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-4.55

Polar Surface Area

45.180

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

4052-4475 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4052-4475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4475?
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What is the minimum amount of 4052-4475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4475
  • 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 4052-4475 available by request