8539-0872 Screening compound: ethyl 2-{4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-5-methylphenoxy}acetate

8539-0872 Screening compound: ethyl 2-{4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-5-methylphenoxy}acetate
8539-0872 Screening compound: ethyl 2-{4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-5-methylphenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0872
ethyl 2-{4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-5-methylphenoxy}acetate

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

8539-0872

Molecular Formula

C25H22ClN3O5 (C25 H22 ClN3 O5)

Compound Name

ethyl 2-{4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-5-methylphenoxy}acetate

IUPAC name

ethyl 2-{4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[15-a]pyrimidine-5-carbonyl]-5-methylphenoxy}acetate

SMILES

CCOC(COc(c(C(c1nc2cc(-c(cc3)ccc3OC)nn2cc1)=O)c1)cc(C)c1Cl)=O

InChI

InChI=1S/C25H22ClN3O5/c1-4-33-24(30)14-34-22-11-15(2)19(26)12-18(22)25(31)20-9-10-29-23(27-20)13-21(28-29)16-5-7-17(32-3)8-6-16/h5-13H,4,14H2,1-3H3

InChI Key

UZYKRZXWYVULFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.468

Distribution Coefficient, logD

5.468

Water Solubility, LogSw

-5.96

Polar Surface Area

68.525

Acid Dissociation Constant (pKa)

24.03

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8539-0872 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8539-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0872?
Check Price and Availability of 8539-0872, 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 8539-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0872
  • 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 8539-0872 available by request