E856-3041 Screening compound: N-[2-(dimethylamino)ethyl]-4-{[2-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}benzamide

E856-3041 Screening compound: N-[2-(dimethylamino)ethyl]-4-{[2-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}benzamide
E856-3041 Screening compound: N-[2-(dimethylamino)ethyl]-4-{[2-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E856-3041
N-[2-(dimethylamino)ethyl]-4-{[2-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl}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

E856-3041

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)CCNC(c1ccc(CN(c2cc(-c(cc3)ccc3OC)nn2CC2)C2=O)cc1)=O

InChI

InChI=1S/C25H29N5O3/c1-28(2)15-13-26-25(32)20-6-4-18(5-7-20)17-29-23-16-22(27-30(23)14-12-24(29)31)19-8-10-21(33-3)11-9-19/h4-11,16H,12-15,17H2,1-3H3,(H,26,32)

InChI Key

BQEBEIIRWWBIMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

1.898

Water Solubility, LogSw

-3.26

Polar Surface Area

63.957

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E856-3041 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E856-3041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-3041?
Check Price and Availability of E856-3041, 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 E856-3041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-3041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-3041
  • 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 E856-3041 available by request