P621-1331 Screening compound: N-(1-benzylpiperidin-4-yl)-4-butyl-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

P621-1331 Screening compound: N-(1-benzylpiperidin-4-yl)-4-butyl-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
P621-1331 Screening compound: N-(1-benzylpiperidin-4-yl)-4-butyl-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P621-1331
N-(1-benzylpiperidin-4-yl)-4-butyl-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

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

P621-1331

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-butyl-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-butyl-2-methyl-3-oxo-2H3H4H-pyrido[32-b][14]oxazine-2-carboxamide

SMILES

CCCCN1c2ncccc2OC(C)(C(NC2CCN(Cc3ccccc3)CC2)=O)C1=O

InChI

InChI=1S/C25H32N4O3/c1-3-4-15-29-22-21(11-8-14-26-22)32-25(2,24(29)31)23(30)27-20-12-16-28(17-13-20)18-19-9-6-5-7-10-19/h5-11,14,20H,3-4,12-13,15-18H2,1-2H3,(H,27,30)/t25-/m0/s1

InChI Key

NZONRNXEDAFIAO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27607156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-3.62

Polar Surface Area

60.581

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

P621-1331 in Drug Discovery

Included in Screening Libraries

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

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P621-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P621-1331?
Check Price and Availability of P621-1331, 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 P621-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P621-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P621-1331
  • 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 P621-1331 available by request