8539-0566 Screening compound: 10-chloro-2-phenyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine

8539-0566 Screening compound: 10-chloro-2-phenyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine
8539-0566 Screening compound: 10-chloro-2-phenyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0566
10-chloro-2-phenyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine

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

8539-0566

Molecular Formula

C19H12ClN3O (C19 H12 ClN3 O)

Compound Name

10-chloro-2-phenyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine

IUPAC name

4-chloro-15-phenyl-8-oxa-121617-triazatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-1(10)246111315-heptaene

SMILES

Clc(cc1)cc-2c1OCc(cnc1c3)c2n1nc3-c1ccccc1

InChI

InChI=1S/C19H12ClN3O/c20-14-6-7-17-15(8-14)19-13(11-24-17)10-21-18-9-16(22-23(18)19)12-4-2-1-3-5-12/h1-10H,11H2

InChI Key

CTEJLUNYQPLKNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09865213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-5.08

Polar Surface Area

32.383

Acid Dissociation Constant (pKa)

34.29

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8539-0566 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8539-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0566?
Check Price and Availability of 8539-0566, 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 8539-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0566
  • 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 8539-0566 available by request