P396-1521 Screening compound: N-methyl-3-{[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy}-N-propylpyrazin-2-amine

P396-1521 Screening compound: N-methyl-3-{[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy}-N-propylpyrazin-2-amine
P396-1521 Screening compound: N-methyl-3-{[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy}-N-propylpyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P396-1521
N-methyl-3-{[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy}-N-propylpyrazin-2-amine

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

P396-1521

Molecular Formula

C18H28N4O3 (C18 H28 N4 O3)

Compound Name

N-methyl-3-{[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy}-N-propylpyrazin-2-amine

IUPAC name

N-methyl-3-{[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy}-N-propylpyrazin-2-amine

SMILES

CCCN(C)c1nccnc1OC(CC1)CN1C(C1CCOCC1)=O

InChI

InChI=1S/C18H28N4O3/c1-3-9-21(2)16-17(20-8-7-19-16)25-15-4-10-22(13-15)18(23)14-5-11-24-12-6-14/h7-8,14-15H,3-6,9-13H2,1-2H3/t15-/m1/s1

InChI Key

XDQWFRIHCSXHSN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28999419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.880

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-1.83

Polar Surface Area

53.539

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.20

P396-1521 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P396-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P396-1521?
Check Price and Availability of P396-1521, 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 P396-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P396-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P396-1521
  • 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 P396-1521 available by request