E223-0589 Screening compound: N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

E223-0589 Screening compound: N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
E223-0589 Screening compound: N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E223-0589
N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-(thiophen-2-yl)-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

E223-0589

Molecular Formula

C28H28N4O3S (C28 H28 N4 O3 S)

Compound Name

N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2-(thiophen-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CC(Cn(c1c2)nc2-c2cccs2)(C(NCc(cc2)ccc2OC)=O)N(Cc2ccc(C)cc2)C1=O

InChI

InChI=1S/C28H28N4O3S/c1-19-6-8-21(9-7-19)17-31-26(33)24-15-23(25-5-4-14-36-25)30-32(24)18-28(31,2)27(34)29-16-20-10-12-22(35-3)13-11-20/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m0/s1

InChI Key

HXSBFERWDITRSN-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD27597995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.60

Polar Surface Area

62.036

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E223-0589 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E223-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E223-0589?
Check Price and Availability of E223-0589, 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 E223-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E223-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E223-0589
  • 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 E223-0589 available by request