S539-1059 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-phenoxypropanamide

S539-1059 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-phenoxypropanamide
S539-1059 Screening compound: N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S539-1059
N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-phenoxypropanamide

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

S539-1059

Molecular Formula

C24H24N4O4 (C24 H24 N4 O4)

Compound Name

N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl}-2-phenoxypropanamide

IUPAC name

N-{2-[2-(3-methoxyphenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazin-5-yl]ethyl}-2-phenoxypropanamide

SMILES

CC(C(NCCN(C=Cn(c1c2)nc2-c2cc(OC)ccc2)C1=O)=O)Oc1ccccc1

InChI

InChI=1S/C24H24N4O4/c1-17(32-19-8-4-3-5-9-19)23(29)25-11-12-27-13-14-28-22(24(27)30)16-21(26-28)18-7-6-10-20(15-18)31-2/h3-10,13-17H,11-12H2,1-2H3,(H,25,29)/t17-/m0/s1

InChI Key

MJZVTIKMLWQWAY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29009948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.86

Polar Surface Area

66.808

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

S539-1059 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S539-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S539-1059?
Check Price and Availability of S539-1059, 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 S539-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S539-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S539-1059
  • 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 S539-1059 available by request