E528-0039 Screening compound: N-benzyl-2-tert-butyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

E528-0039 Screening compound: N-benzyl-2-tert-butyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
E528-0039 Screening compound: N-benzyl-2-tert-butyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E528-0039
N-benzyl-2-tert-butyl-5-[(4-ethoxyphenyl)methyl]-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

E528-0039

Molecular Formula

C28H34N4O3 (C28 H34 N4 O3)

Compound Name

N-benzyl-2-tert-butyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

IUPAC name

N-benzyl-2-tert-butyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CCOc1ccc(CN(C(C)(Cn2nc(C(C)(C)C)cc22)C(NCc3ccccc3)=O)C2=O)cc1

InChI

InChI=1S/C28H34N4O3/c1-6-35-22-14-12-21(13-15-22)18-31-25(33)23-16-24(27(2,3)4)30-32(23)19-28(31,5)26(34)29-17-20-10-8-7-9-11-20/h7-16H,6,17-19H2,1-5H3,(H,29,34)/t28-/m0/s1

InChI Key

COXZVXFQSQYDIW-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD27599950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-4.44

Polar Surface Area

60.869

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

E528-0039 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E528-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E528-0039?
Check Price and Availability of E528-0039, 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 E528-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E528-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E528-0039
  • 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 E528-0039 available by request