N106-1121 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-ethoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

N106-1121 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-ethoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
N106-1121 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-ethoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1121
(1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-ethoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-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

N106-1121

Molecular Formula

C27H42N4O3 (C27 H42 N4 O3)

Compound Name

(1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-ethoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

IUPAC name

(5R6R9S13S)-N-(3-ethoxypropyl)-6-[3-(phenylcarbamoyl)propyl]-17-diazatricyclo[7.3.1.0^{513}]tridecane-7-carboxamide

SMILES

CCOCCCNC(N(C[C@@H]1CCC2)[C@H](CCCC(Nc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C27H42N4O3/c1-2-34-19-9-16-28-27(33)31-20-21-10-7-17-30-18-8-13-23(26(21)30)24(31)14-6-15-25(32)29-22-11-4-3-5-12-22/h3-5,11-12,21,23-24,26H,2,6-10,13-20H2,1H3,(H,28,33)(H,29,32)/t21-,23-,24-,26-/m1/s1

InChI Key

AZGSKHDXALPHIO-IGGXFAESSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

0.466

Water Solubility, LogSw

-3.04

Polar Surface Area

60.304

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.37

N106-1121 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Pool
  • Mimetics

References: we are preparing a list of scientific research reports with N106-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1121?
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What is the minimum amount of N106-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1121
  • 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 N106-1121 available by request