8539-0562 Screening compound: ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenoxy}acetate

8539-0562 Screening compound: ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenoxy}acetate
8539-0562 Screening compound: ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0562
ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenoxy}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

8539-0562

Molecular Formula

C22H17ClN4O5 (C22 H17 ClN4 O5)

Compound Name

ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenoxy}acetate

IUPAC name

ethyl 2-{2-[2-(4-chlorophenyl)pyrazolo[15-a]pyrimidin-7-yl]-4-nitrophenoxy}acetate

SMILES

CCOC(COc(ccc([N+]([O-])=O)c1)c1-c1ccnc2cc(-c(cc3)ccc3Cl)nn12)=O

InChI

InChI=1S/C22H17ClN4O5/c1-2-31-22(28)13-32-20-8-7-16(27(29)30)11-17(20)19-9-10-24-21-12-18(25-26(19)21)14-3-5-15(23)6-4-14/h3-12H,2,13H2,1H3

InChI Key

ZTWCPXAERDIQBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08280949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.77

Polar Surface Area

79.684

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8539-0562 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8539-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0562?
Check Price and Availability of 8539-0562, 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 8539-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0562
  • 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 8539-0562 available by request