N121-1118 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~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

N121-1118 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~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
N121-1118 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~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1118
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(5-methyl-1H-pyrazol-4-yl)methyl]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

N121-1118

Molecular Formula

C26H36N6O2 (C26 H36 N6 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~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

IUPAC name

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

SMILES

Cc1c(CNC(CCC[C@H]([C@@H]2[C@H]([C@@H](CCC3)C4)N3CCC2)N4C(c2cnccc2)=O)=O)cn[nH]1

InChI

InChI=1S/C26H36N6O2/c1-18-21(16-29-30-18)15-28-24(33)10-2-9-23-22-8-5-13-31-12-4-7-20(25(22)31)17-32(23)26(34)19-6-3-11-27-14-19/h3,6,11,14,16,20,22-23,25H,2,4-5,7-10,12-13,15,17H2,1H3,(H,28,33)(H,29,30)/t20-,22-,23-,25-/m1/s1

InChI Key

UKBYACCETHAZAX-HBAHCVPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.848

Distribution Coefficient, logD

-1.614

Water Solubility, LogSw

-1.20

Polar Surface Area

77.178

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

61.54

N121-1118 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 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:
  • Pool

References: we are preparing a list of scientific research reports with N121-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N121-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1118
  • 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 N121-1118 available by request