E225-0453 Screening compound: N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-ethylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

E225-0453 Screening compound: N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-ethylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
E225-0453 Screening compound: N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-ethylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E225-0453
N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-ethylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

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

E225-0453

Molecular Formula

C29H42N4O3 (C29 H42 N4 O3)

Compound Name

N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-ethylphenyl)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

IUPAC name

N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-ethylphenyl)-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CCc(cc1)ccc1-c1nn(CC(C)(C(NC2CCCCCCC2)=O)N(CCCOCC)C2=O)c2c1

InChI

InChI=1S/C29H42N4O3/c1-4-22-14-16-23(17-15-22)25-20-26-27(34)32(18-11-19-36-5-2)29(3,21-33(26)31-25)28(35)30-24-12-9-7-6-8-10-13-24/h14-17,20,24H,4-13,18-19,21H2,1-3H3,(H,30,35)/t29-/m0/s1

InChI Key

WMDCVMMWBYPXAF-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14849578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.990

Distribution Coefficient, logD

5.990

Water Solubility, LogSw

-5.32

Polar Surface Area

61.757

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.10

E225-0453 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E225-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E225-0453?
Check Price and Availability of E225-0453, 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 E225-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E225-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E225-0453
  • 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 E225-0453 available by request