E852-4543 Screening compound: ethyl 3-[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido]benzoate

E852-4543 Screening compound: ethyl 3-[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido]benzoate
E852-4543 Screening compound: ethyl 3-[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-4543
ethyl 3-[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido]benzoate

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

E852-4543

Molecular Formula

C27H35N5O5 (C27 H35 N5 O5)

Compound Name

ethyl 3-[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-amido]benzoate

IUPAC name

ethyl 3-[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-amido]benzoate

SMILES

CCCCN(C(C)(Cn(c1c2)nc2C(Nc2cc(C(OCC)=O)ccc2)=O)C(NC2CCCC2)=O)C1=O

InChI

InChI=1S/C27H35N5O5/c1-4-6-14-31-24(34)22-16-21(23(33)28-20-13-9-10-18(15-20)25(35)37-5-2)30-32(22)17-27(31,3)26(36)29-19-11-7-8-12-19/h9-10,13,15-16,19H,4-8,11-12,14,17H2,1-3H3,(H,28,33)(H,29,36)/t27-/m0/s1

InChI Key

GUTZPOJDCHNVDL-MHZLTWQESA-N

MDL Number (MFCD)

MFCD27602466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.07

Polar Surface Area

97.931

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

E852-4543 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)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E852-4543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-4543?
Check Price and Availability of E852-4543, 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 E852-4543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-4543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-4543
  • 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 E852-4543 available by request