N121-1134 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}butanamide

N121-1134 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}butanamide
N121-1134 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1134
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}butanamide

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

N121-1134

Molecular Formula

C33H45N5O2 (C33 H45 N5 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}butanamide

IUPAC name

4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[3-(1234-tetrahydroquinolin-1-yl)propyl]butanamide

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cnccc1)=O)NCCCN(CCC1)c2c1cccc2

InChI

InChI=1S/C33H45N5O2/c39-31(35-18-8-22-36-19-5-11-25-9-1-2-14-29(25)36)16-3-15-30-28-13-7-21-37-20-6-12-27(32(28)37)24-38(30)33(40)26-10-4-17-34-23-26/h1-2,4,9-10,14,17,23,27-28,30,32H,3,5-8,11-13,15-16,18-22,24H2,(H,35,39)/t27-,28-,30-,32-/m1/s1

InChI Key

AGQVRJSLCNCOFC-XDFGCPGZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

0.018

Water Solubility, LogSw

-2.39

Polar Surface Area

55.565

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.61

N121-1134 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with N121-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N121-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1134
  • 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 N121-1134 available by request