8539-0853 Screening compound: 4-ethyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol

8539-0853 Screening compound: 4-ethyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol
8539-0853 Screening compound: 4-ethyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0853
4-ethyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol

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

8539-0853

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

4-ethyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol

IUPAC name

4-ethyl-2-[2-(4-methylphenyl)pyrazolo[15-a]pyrimidine-6-carbonyl]phenol

SMILES

CCc(cc1)cc(C(c(cnc2c3)cn2nc3-c2ccc(C)cc2)=O)c1O

InChI

InChI=1S/C22H19N3O2/c1-3-15-6-9-20(26)18(10-15)22(27)17-12-23-21-11-19(24-25(21)13-17)16-7-4-14(2)5-8-16/h4-13,26H,3H2,1-2H3

InChI Key

UERIZQUMFRZJSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08280668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.462

Distribution Coefficient, logD

5.462

Water Solubility, LogSw

-5.02

Polar Surface Area

50.199

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8539-0853 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 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 8539-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0853?
Check Price and Availability of 8539-0853, 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 8539-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0853
  • 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 8539-0853 available by request