8009-5152 Screening compound: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

8009-5152 Screening compound: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
8009-5152 Screening compound: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5152
2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

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

8009-5152

Molecular Formula

C19H21N3O4 (C19 H21 N3 O4)

Compound Name

2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

2-(34-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

CC(CC1(c2cnccc2)O)=NN1C(Cc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C19H21N3O4/c1-13-11-19(24,15-5-4-8-20-12-15)22(21-13)18(23)10-14-6-7-16(25-2)17(9-14)26-3/h4-9,12,24H,10-11H2,1-3H3/t19-/m0/s1

InChI Key

NWKXOWQJRNAVKE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01821709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.258

Distribution Coefficient, logD

1.258

Water Solubility, LogSw

-1.13

Polar Surface Area

66.943

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8009-5152 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with 8009-5152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5152?
Check Price and Availability of 8009-5152, 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 8009-5152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5152
  • 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 8009-5152 available by request