P396-0048 Screening compound: 1-(3-{[3-(dimethylamino)pyrazin-2-yl]oxy}pyrrolidin-1-yl)-2-(4-ethoxyphenyl)ethan-1-one

P396-0048 Screening compound: 1-(3-{[3-(dimethylamino)pyrazin-2-yl]oxy}pyrrolidin-1-yl)-2-(4-ethoxyphenyl)ethan-1-one
P396-0048 Screening compound: 1-(3-{[3-(dimethylamino)pyrazin-2-yl]oxy}pyrrolidin-1-yl)-2-(4-ethoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P396-0048
1-(3-{[3-(dimethylamino)pyrazin-2-yl]oxy}pyrrolidin-1-yl)-2-(4-ethoxyphenyl)ethan-1-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

P396-0048

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

1-(3-{[3-(dimethylamino)pyrazin-2-yl]oxy}pyrrolidin-1-yl)-2-(4-ethoxyphenyl)ethan-1-one

IUPAC name

1-(3-{[3-(dimethylamino)pyrazin-2-yl]oxy}pyrrolidin-1-yl)-2-(4-ethoxyphenyl)ethan-1-one

SMILES

CCOc1ccc(CC(N(CC2)CC2Oc2nccnc2N(C)C)=O)cc1

InChI

InChI=1S/C20H26N4O3/c1-4-26-16-7-5-15(6-8-16)13-18(25)24-12-9-17(14-24)27-20-19(23(2)3)21-10-11-22-20/h5-8,10-11,17H,4,9,12-14H2,1-3H3/t17-/m1/s1

InChI Key

GDXKGFWGNYNLDQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD28994672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.35

Polar Surface Area

51.635

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

P396-0048 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Ligand-Gated Ion Channels Library (3887 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Ion Channels
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P396-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P396-0048?
Check Price and Availability of P396-0048, 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 P396-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P396-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P396-0048
  • 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 P396-0048 available by request