E224-0586 Screening compound: 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

E224-0586 Screening compound: 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
E224-0586 Screening compound: 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E224-0586
5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

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

E224-0586

Molecular Formula

C25H33ClN4O2 (C25 H33 ClN4 O2)

Compound Name

5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

IUPAC name

5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-(propan-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CC(C)c1nn(CC(C)(C(NC2CCCCCC2)=O)N(Cc(cccc2)c2Cl)C2=O)c2c1

InChI

InChI=1S/C25H33ClN4O2/c1-17(2)21-14-22-23(31)29(15-18-10-8-9-13-20(18)26)25(3,16-30(22)28-21)24(32)27-19-11-6-4-5-7-12-19/h8-10,13-14,17,19H,4-7,11-12,15-16H2,1-3H3,(H,27,32)/t25-/m0/s1

InChI Key

SHBLEWWSLCSFOA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14849342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.79

Polar Surface Area

53.801

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

E224-0586 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E224-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E224-0586?
Check Price and Availability of E224-0586, 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 E224-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E224-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E224-0586
  • 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 E224-0586 available by request