8539-0558 Screening compound: 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol

8539-0558 Screening compound: 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
8539-0558 Screening compound: 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0558
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol

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

8539-0558

Molecular Formula

C19H14ClN3O (C19 H14 ClN3 O)

Compound Name

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol

IUPAC name

2-[2-(4-chlorophenyl)pyrazolo[15-a]pyrimidin-7-yl]-4-methylphenol

SMILES

Cc(cc1)cc(-c2ccnc3cc(-c(cc4)ccc4Cl)nn23)c1O

InChI

InChI=1S/C19H14ClN3O/c1-12-2-7-18(24)15(10-12)17-8-9-21-19-11-16(22-23(17)19)13-3-5-14(20)6-4-13/h2-11,24H,1H3

InChI Key

JZZCCLRWJNJEEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08280927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.506

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.90

Polar Surface Area

35.106

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8539-0558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 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 8539-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0558?
Check Price and Availability of 8539-0558, 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 8539-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0558
  • 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 8539-0558 available by request