E856-2316 Screening compound: N-[(3-methylphenyl)methyl]-4-({5-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)benzamide

E856-2316 Screening compound: N-[(3-methylphenyl)methyl]-4-({5-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)benzamide
E856-2316 Screening compound: N-[(3-methylphenyl)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 E856-2316
N-[(3-methylphenyl)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

E856-2316

Molecular Formula

C28H26N4O2 (C28 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CNC(c2ccc(CN(c3cc(-c4ccccc4)nn3CC3)C3=O)cc2)=O)c1

InChI

InChI=1S/C28H26N4O2/c1-20-6-5-7-22(16-20)18-29-28(34)24-12-10-21(11-13-24)19-31-26-17-25(23-8-3-2-4-9-23)30-32(26)15-14-27(31)33/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,34)

InChI Key

JOKGELLSDFQTEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

5.003

Water Solubility, LogSw

-4.64

Polar Surface Area

52.434

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

E856-2316 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E856-2316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-2316?
Check Price and Availability of E856-2316, 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 E856-2316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-2316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-2316
  • 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 E856-2316 available by request