N106-1063 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(4-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

N106-1063 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(4-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide
N106-1063 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(4-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1063
4-[(1R,3aS,10aS,10bS)-2-(4-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

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

N106-1063

Molecular Formula

C27H34N4O2 (C27 H34 N4 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(4-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

IUPAC name

N-phenyl-4-[(5R6R9S13S)-7-(pyridine-4-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1ccncc1)=O)Nc1ccccc1

InChI

InChI=1S/C27H34N4O2/c32-25(29-22-8-2-1-3-9-22)12-4-11-24-23-10-6-18-30-17-5-7-21(26(23)30)19-31(24)27(33)20-13-15-28-16-14-20/h1-3,8-9,13-16,21,23-24,26H,4-7,10-12,17-19H2,(H,29,32)/t21-,23-,24-,26-/m1/s1

InChI Key

AESUXNVPTSTPKF-IGGXFAESSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.014

Distribution Coefficient, logD

-0.447

Water Solubility, LogSw

-2.06

Polar Surface Area

51.499

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

51.85

N106-1063 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with N106-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1063?
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What is the minimum amount of N106-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1063
  • 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 N106-1063 available by request