8539-0854 Screening compound: 4-bromo-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol

8539-0854 Screening compound: 4-bromo-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol
8539-0854 Screening compound: 4-bromo-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0854
4-bromo-2-[2-(4-methoxyphenyl)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

8539-0854

Molecular Formula

C20H14BrN3O3 (C20 H14 BrN3 O3)

Compound Name

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

IUPAC name

4-bromo-2-[2-(4-methoxyphenyl)pyrazolo[15-a]pyrimidine-6-carbonyl]phenol

SMILES

COc(cc1)ccc1-c1nn(cc(cn2)C(c(cc(cc3)Br)c3O)=O)c2c1

InChI

InChI=1S/C20H14BrN3O3/c1-27-15-5-2-12(3-6-15)17-9-19-22-10-13(11-24(19)23-17)20(26)16-8-14(21)4-7-18(16)25/h2-11,25H,1H3

InChI Key

LVWAHYNAHWNKFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08280673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.29

Polar Surface Area

57.743

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8539-0854 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8539-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0854?
Check Price and Availability of 8539-0854, 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 8539-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0854
  • 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 8539-0854 available by request