E853-1369 Screening compound: ethyl 6-(cyclopentylcarbamoyl)-5-(4-acetamidophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

E853-1369 Screening compound: ethyl 6-(cyclopentylcarbamoyl)-5-(4-acetamidophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
E853-1369 Screening compound: ethyl 6-(cyclopentylcarbamoyl)-5-(4-acetamidophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E853-1369
ethyl 6-(cyclopentylcarbamoyl)-5-(4-acetamidophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

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

E853-1369

Molecular Formula

C24H29N5O5 (C24 H29 N5 O5)

Compound Name

ethyl 6-(cyclopentylcarbamoyl)-5-(4-acetamidophenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

IUPAC name

ethyl 6-(cyclopentylcarbamoyl)-5-(4-acetamidophenyl)-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxylate

SMILES

CCOC(c1nn(CC(C)(C(NC2CCCC2)=O)N(c(cc2)ccc2NC(C)=O)C2=O)c2c1)=O

InChI

InChI=1S/C24H29N5O5/c1-4-34-22(32)19-13-20-21(31)29(18-11-9-17(10-12-18)25-15(2)30)24(3,14-28(20)27-19)23(33)26-16-7-5-6-8-16/h9-13,16H,4-8,14H2,1-3H3,(H,25,30)(H,26,33)/t24-/m0/s1

InChI Key

LVLJRQVRBHBOLN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27602674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.779

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-2.51

Polar Surface Area

97.240

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

E853-1369 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with E853-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E853-1369?
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What is the minimum amount of E853-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E853-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E853-1369
  • 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 E853-1369 available by request