P396-0049 Screening compound: 1-(3-{[3-(dimethylamino)-2-pyrazinyl]oxy}-1-pyrrolidinyl)-3-methyl-1-butanone

P396-0049 Screening compound: 1-(3-{[3-(dimethylamino)-2-pyrazinyl]oxy}-1-pyrrolidinyl)-3-methyl-1-butanone
P396-0049 Screening compound: 1-(3-{[3-(dimethylamino)-2-pyrazinyl]oxy}-1-pyrrolidinyl)-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P396-0049
1-(3-{[3-(dimethylamino)-2-pyrazinyl]oxy}-1-pyrrolidinyl)-3-methyl-1-butanone

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

P396-0049

Molecular Formula

C15H24N4O2 (C15 H24 N4 O2)

Compound Name

1-(3-{[3-(dimethylamino)-2-pyrazinyl]oxy}-1-pyrrolidinyl)-3-methyl-1-butanone

IUPAC name

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

SMILES

CC(C)CC(N(CC1)CC1Oc1nccnc1N(C)C)=O

InChI

InChI=1S/C15H24N4O2/c1-11(2)9-13(20)19-8-5-12(10-19)21-15-14(18(3)4)16-6-7-17-15/h6-7,11-12H,5,8-10H2,1-4H3/t12-/m1/s1

InChI Key

MEWXRRTXYCMAPT-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD28994673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-1.98

Polar Surface Area

44.783

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

P396-0049 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P396-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P396-0049?
Check Price and Availability of P396-0049, 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 P396-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P396-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P396-0049
  • 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 P396-0049 available by request