E852-4559 Screening compound: 5-butyl-N2-(3-chloro-4-methylphenyl)-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-4559 Screening compound: 5-butyl-N2-(3-chloro-4-methylphenyl)-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-4559 Screening compound: 5-butyl-N2-(3-chloro-4-methylphenyl)-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-4559
5-butyl-N2-(3-chloro-4-methylphenyl)-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

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

E852-4559

Molecular Formula

C25H32ClN5O3 (C25 H32 ClN5 O3)

Compound Name

5-butyl-N2-(3-chloro-4-methylphenyl)-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

5-butyl-N2-(3-chloro-4-methylphenyl)-N6-cyclopentyl-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CCCCN(C(C)(Cn(c1c2)nc2C(Nc2cc(Cl)c(C)cc2)=O)C(NC2CCCC2)=O)C1=O

InChI

InChI=1S/C25H32ClN5O3/c1-4-5-12-30-23(33)21-14-20(22(32)27-18-11-10-16(2)19(26)13-18)29-31(21)15-25(30,3)24(34)28-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,32)(H,28,34)/t25-/m0/s1

InChI Key

XGNVGVLMXGFQKR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27602476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-5.11

Polar Surface Area

77.177

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

E852-4559 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with E852-4559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-4559?
Check Price and Availability of E852-4559, 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 E852-4559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-4559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-4559
  • 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 E852-4559 available by request