E852-0228 Screening compound: ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate

E852-0228 Screening compound: ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate
E852-0228 Screening compound: ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-0228
ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-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

E852-0228

Molecular Formula

C23H33N5O5 (C23 H33 N5 O5)

Compound Name

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

IUPAC name

ethyl 1-[6-(cyclopentylcarbamoyl)-56-dimethyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carbonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1nn(CC(C)(C(NC2CCCC2)=O)N(C)C2=O)c2c1)=O)=O

InChI

InChI=1S/C23H33N5O5/c1-4-33-21(31)15-9-11-27(12-10-15)19(29)17-13-18-20(30)26(3)23(2,14-28(18)25-17)22(32)24-16-7-5-6-8-16/h13,15-16H,4-12,14H2,1-3H3,(H,24,32)/t23-/m0/s1

InChI Key

MXSFZSGVDREZTR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27602183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.304

Distribution Coefficient, logD

1.304

Water Solubility, LogSw

-1.87

Polar Surface Area

91.275

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.60

E852-0228 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E852-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-0228?
Check Price and Availability of E852-0228, 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 E852-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-0228
  • 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 E852-0228 available by request