N106-0339 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

N106-0339 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone
N106-0339 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxybenzoyl)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 N106-0339
4-[(1R,3aS,10aS,10bS)-2-(2-methoxybenzoyl)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

N106-0339

Molecular Formula

C27H39N3O4 (C27 H39 N3 O4)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(2-methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

IUPAC name

4-[(5R6R9S13S)-7-(2-methoxybenzoyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

COc(cccc1)c1C(N(C[C@@H]1CCC2)[C@H](CCCC(N3CCOCC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C27H39N3O4/c1-33-24-11-3-2-8-22(24)27(32)30-19-20-7-5-13-29-14-6-9-21(26(20)29)23(30)10-4-12-25(31)28-15-17-34-18-16-28/h2-3,8,11,20-21,23,26H,4-7,9-10,12-19H2,1H3/t20-,21-,23-,26-/m1/s1

InChI Key

CZPAZDHETDZYBT-YWDMUFDYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.62

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

1.498

Distribution Coefficient, logD

-0.963

Water Solubility, LogSw

-2.07

Polar Surface Area

50.853

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.37

N106-0339 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N106-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0339?
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What is the minimum amount of N106-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0339
  • 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 N106-0339 available by request