E856-3020 Screening compound: 4-{[2-(3-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}-N-[2-(furan-2-yl)ethyl]benzamide

E856-3020 Screening compound: 4-{[2-(3-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}-N-[2-(furan-2-yl)ethyl]benzamide
E856-3020 Screening compound: 4-{[2-(3-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}-N-[2-(furan-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E856-3020
4-{[2-(3-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}-N-[2-(furan-2-yl)ethyl]benzamide

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

E856-3020

Molecular Formula

C26H23ClN4O3 (C26 H23 ClN4 O3)

Compound Name

4-{[2-(3-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}-N-[2-(furan-2-yl)ethyl]benzamide

IUPAC name

4-{[2-(3-chlorophenyl)-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]methyl}-N-[2-(furan-2-yl)ethyl]benzamide

SMILES

O=C(c1ccc(CN(c2cc(-c3cccc(Cl)c3)nn2CC2)C2=O)cc1)NCCc1ccco1

InChI

InChI=1S/C26H23ClN4O3/c27-21-4-1-3-20(15-21)23-16-24-30(25(32)11-13-31(24)29-23)17-18-6-8-19(9-7-18)26(33)28-12-10-22-5-2-14-34-22/h1-9,14-16H,10-13,17H2,(H,28,33)

InChI Key

RFHRKEQCYZMTJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.95

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

4.454

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.60

Polar Surface Area

60.024

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E856-3020 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E856-3020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-3020?
Check Price and Availability of E856-3020, 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 E856-3020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-3020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-3020
  • 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 E856-3020 available by request