E856-2295 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({5-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)benzamide

E856-2295 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({5-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)benzamide
E856-2295 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({5-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E856-2295
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({5-oxo-2-phenyl-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

E856-2295

Molecular Formula

C28H24N4O4 (C28 H24 N4 O4)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-({5-oxo-2-phenyl-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}methyl)benzamide

SMILES

O=C(c1ccc(CN(c2cc(-c3ccccc3)nn2CC2)C2=O)cc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H24N4O4/c33-27-12-13-32-26(15-23(30-32)21-4-2-1-3-5-21)31(27)17-19-6-9-22(10-7-19)28(34)29-16-20-8-11-24-25(14-20)36-18-35-24/h1-11,14-15H,12-13,16-18H2,(H,29,34)

InChI Key

WHXKKOHOJVWQFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.228

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.36

Polar Surface Area

69.549

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

E856-2295 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E856-2295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-2295?
Check Price and Availability of E856-2295, 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 E856-2295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-2295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-2295
  • 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 E856-2295 available by request