8539-0868 Screening compound: ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-4-ethylphenoxy}acetate

8539-0868 Screening compound: ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-4-ethylphenoxy}acetate
8539-0868 Screening compound: ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-4-ethylphenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0868
ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-4-ethylphenoxy}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

8539-0868

Molecular Formula

C25H22ClN3O4 (C25 H22 ClN3 O4)

Compound Name

ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]-4-ethylphenoxy}acetate

IUPAC name

ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[15-a]pyrimidine-5-carbonyl]-4-ethylphenoxy}acetate

SMILES

CCc(cc1)cc(C(c2nc3cc(-c(cc4)ccc4Cl)nn3cc2)=O)c1OCC(OCC)=O

InChI

InChI=1S/C25H22ClN3O4/c1-3-16-5-10-22(33-15-24(30)32-4-2)19(13-16)25(31)20-11-12-29-23(27-20)14-21(28-29)17-6-8-18(26)9-7-17/h5-14H,3-4,15H2,1-2H3

InChI Key

PAKOJXNHSZWOFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.462

Distribution Coefficient, logD

5.462

Water Solubility, LogSw

-5.90

Polar Surface Area

60.981

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8539-0868 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8539-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0868?
Check Price and Availability of 8539-0868, 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 8539-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0868
  • 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 8539-0868 available by request