N106-0554 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

N106-0554 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone
N106-0554 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0554
4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

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

N106-0554

Molecular Formula

C24H37N5O3 (C24 H37 N5 O3)

Compound Name

4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

IUPAC name

4-[(5R6R9S13S)-7-(1-methyl-1H-pyrazole-5-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

Cn1nccc1C(N(C[C@@H]1CCC2)[C@H](CCCC(N3CCOCC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C24H37N5O3/c1-26-21(9-10-25-26)24(31)29-17-18-5-3-11-28-12-4-6-19(23(18)28)20(29)7-2-8-22(30)27-13-15-32-16-14-27/h9-10,18-20,23H,2-8,11-17H2,1H3/t18-,19-,20-,23-/m1/s1

InChI Key

KBCZDBKPUWXRNS-GLHSZLCASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.047

Distribution Coefficient, logD

-2.415

Water Solubility, LogSw

-1.07

Polar Surface Area

56.872

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

79.17

N106-0554 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 N106-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0554?
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What is the minimum amount of N106-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0554
  • 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 N106-0554 available by request