E852-0586 Screening compound: N6-cycloheptyl-N2-(4-ethylphenyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-0586 Screening compound: N6-cycloheptyl-N2-(4-ethylphenyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-0586 Screening compound: N6-cycloheptyl-N2-(4-ethylphenyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-0586
N6-cycloheptyl-N2-(4-ethylphenyl)-5,6-dimethyl-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

E852-0586

Molecular Formula

C25H33N5O3 (C25 H33 N5 O3)

Compound Name

N6-cycloheptyl-N2-(4-ethylphenyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

N6-cycloheptyl-N2-(4-ethylphenyl)-56-dimethyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CCc(cc1)ccc1NC(c1nn(CC(C)(C(NC2CCCCCC2)=O)N(C)C2=O)c2c1)=O

InChI

InChI=1S/C25H33N5O3/c1-4-17-11-13-19(14-12-17)26-22(31)20-15-21-23(32)29(3)25(2,16-30(21)28-20)24(33)27-18-9-7-5-6-8-10-18/h11-15,18H,4-10,16H2,1-3H3,(H,26,31)(H,27,33)/t25-/m0/s1

InChI Key

ZHTKBLJUSASMCR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27602290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.014

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-3.92

Polar Surface Area

76.930

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

E852-0586 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E852-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-0586?
Check Price and Availability of E852-0586, 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 E852-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-0586
  • 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 E852-0586 available by request