N121-1092 Screening compound: (1R,3aS,10aR,10bS)-1-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-2-(pyridin-3-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij]-1,6-naphthyridine

N121-1092 Screening compound: (1R,3aS,10aR,10bS)-1-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-2-(pyridin-3-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij]-1,6-naphthyridine
N121-1092 Screening compound: (1R,3aS,10aR,10bS)-1-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-2-(pyridin-3-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij]-1,6-naphthyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1092
(1R,3aS,10aR,10bS)-1-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-2-(pyridin-3-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij]-1,6-naphthyridine

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

N121-1092

Molecular Formula

C31H47N5O2 (C31 H47 N5 O2)

Compound Name

(1R,3aS,10aR,10bS)-1-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-2-(pyridin-3-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij]-1,6-naphthyridine

IUPAC name

1-{[14'-bipiperidin]-1'-yl}-4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butan-1-one

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cnccc1)=O)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C31H47N5O2/c37-29(34-20-13-26(14-21-34)33-16-2-1-3-17-33)12-4-11-28-27-10-7-19-35-18-6-9-25(30(27)35)23-36(28)31(38)24-8-5-15-32-22-24/h5,8,15,22,25-28,30H,1-4,6-7,9-14,16-21,23H2/t25-,27-,28-,30-/m1/s1

InChI Key

HCXMENGDFOXOAZ-MZAPLOMJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

-1.639

Water Solubility, LogSw

-1.77

Polar Surface Area

47.925

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

77.42

N121-1092 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N121-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1092
  • 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 N121-1092 available by request