8009-5159 Screening compound: 5-(4-ethylphenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

8009-5159 Screening compound: 5-(4-ethylphenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
8009-5159 Screening compound: 5-(4-ethylphenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5159
5-(4-ethylphenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

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

8009-5159

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

5-(4-ethylphenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

5-(4-ethylphenyl)-1-(4-methoxybenzoyl)-3-methyl-45-dihydro-1H-pyrazol-5-ol

SMILES

CCc1ccc(C2(N(C(c(cc3)ccc3OC)=O)N=C(C)C2)O)cc1

InChI

InChI=1S/C20H22N2O3/c1-4-15-5-9-17(10-6-15)20(24)13-14(2)21-22(20)19(23)16-7-11-18(25-3)12-8-16/h5-12,24H,4,13H2,1-3H3/t20-/m0/s1

InChI Key

VQRIKLCVHZGMNC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01821716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.03

Polar Surface Area

50.235

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8009-5159 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-5159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5159?
Check Price and Availability of 8009-5159, 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 8009-5159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5159
  • 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 8009-5159 available by request