E856-3053 Screening compound: 2-(4-methoxyphenyl)-4-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

E856-3053 Screening compound: 2-(4-methoxyphenyl)-4-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
E856-3053 Screening compound: 2-(4-methoxyphenyl)-4-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E856-3053
2-(4-methoxyphenyl)-4-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

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

E856-3053

Molecular Formula

C27H30N4O3 (C27 H30 N4 O3)

Compound Name

2-(4-methoxyphenyl)-4-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

IUPAC name

2-(4-methoxyphenyl)-4-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl}-4H5H6H7H-pyrazolo[15-a]pyrimidin-5-one

SMILES

CC(CC1)CCN1C(c1ccc(CN(c2cc(-c(cc3)ccc3OC)nn2CC2)C2=O)cc1)=O

InChI

InChI=1S/C27H30N4O3/c1-19-11-14-29(15-12-19)27(33)22-5-3-20(4-6-22)18-30-25-17-24(28-31(25)16-13-26(30)32)21-7-9-23(34-2)10-8-21/h3-10,17,19H,11-16,18H2,1-2H3

InChI Key

ADTAAOSOCYANJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-4.23

Polar Surface Area

52.213

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

E856-3053 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E856-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-3053?
Check Price and Availability of E856-3053, 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 E856-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-3053
  • 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 E856-3053 available by request