N121-1110 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-(3,5-dimethyl-4-isoxazolyl)propyl]butanamide

N121-1110 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-(3,5-dimethyl-4-isoxazolyl)propyl]butanamide
N121-1110 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-(3,5-dimethyl-4-isoxazolyl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1110
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(3,5-dimethyl-4-isoxazolyl)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

N121-1110

Molecular Formula

C29H41N5O3 (C29 H41 N5 O3)

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-(3,5-dimethyl-4-isoxazolyl)propyl]butanamide

IUPAC name

N-[3-(35-dimethyl-12-oxazol-4-yl)propyl]-4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

Cc1noc(C)c1CCCNC(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cnccc1)=O)=O

InChI

InChI=1S/C29H41N5O3/c1-20-24(21(2)37-32-20)10-5-15-31-27(35)13-3-12-26-25-11-7-17-33-16-6-9-23(28(25)33)19-34(26)29(36)22-8-4-14-30-18-22/h4,8,14,18,23,25-26,28H,3,5-7,9-13,15-17,19H2,1-2H3,(H,31,35)/t23-,25-,26-,28-/m1/s1

InChI Key

ROXFOEKAMNBUAZ-GTVIQNQPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

-1.089

Water Solubility, LogSw

-1.32

Polar Surface Area

74.790

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

65.52

N121-1110 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N121-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1110
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1110
  • 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 N121-1110 available by request