8539-0738 Screening compound: 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]-4-nitrophenol

8539-0738 Screening compound: 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]-4-nitrophenol
8539-0738 Screening compound: 2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0738
2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]-4-nitrophenol

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

8539-0738

Molecular Formula

C20H14N4O4 (C20 H14 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nn(cc(cn2)C(c(cc(cc3)[N+]([O-])=O)c3O)=O)c2c1

InChI

InChI=1S/C20H14N4O4/c1-12-2-4-13(5-3-12)17-9-19-21-10-14(11-23(19)22-17)20(26)16-8-15(24(27)28)6-7-18(16)25/h2-11,25H,1H3

InChI Key

ASDIQMDIAQYXBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08280667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-3.98

Polar Surface Area

83.581

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8539-0738 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 8539-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0738?
Check Price and Availability of 8539-0738, 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 8539-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0738
  • 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 8539-0738 available by request