E852-4678 Screening compound: 5-butyl-N6-cyclopentyl-N2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-4678 Screening compound: 5-butyl-N6-cyclopentyl-N2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-4678 Screening compound: 5-butyl-N6-cyclopentyl-N2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-4678
5-butyl-N6-cyclopentyl-N2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-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

E852-4678

Molecular Formula

C27H37N5O5 (C27 H37 N5 O5)

Compound Name

5-butyl-N6-cyclopentyl-N2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

5-butyl-N6-cyclopentyl-N2-[(34-dimethoxyphenyl)methyl]-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CCCCN(C(C)(Cn(c1c2)nc2C(NCc(cc2)cc(OC)c2OC)=O)C(NC2CCCC2)=O)C1=O

InChI

InChI=1S/C27H37N5O5/c1-5-6-13-31-25(34)21-15-20(24(33)28-16-18-11-12-22(36-3)23(14-18)37-4)30-32(21)17-27(31,2)26(35)29-19-9-7-8-10-19/h11-12,14-15,19H,5-10,13,16-17H2,1-4H3,(H,28,33)(H,29,35)/t27-/m0/s1

InChI Key

CQRDOQFXIWBLOW-MHZLTWQESA-N

MDL Number (MFCD)

MFCD27602504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.15

Polar Surface Area

93.760

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

E852-4678 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with E852-4678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-4678?
Check Price and Availability of E852-4678, 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 E852-4678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-4678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-4678
  • 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 E852-4678 available by request