N106-0406 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(5-fluoro-2-methoxyphenyl)sulfonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

N106-0406 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(5-fluoro-2-methoxyphenyl)sulfonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone
N106-0406 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(5-fluoro-2-methoxyphenyl)sulfonyl]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 N106-0406
4-{(1R,3aS,10aS,10bS)-2-[(5-fluoro-2-methoxyphenyl)sulfonyl]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

N106-0406

Molecular Formula

C26H38FN3O5S (C26 H38 FN3 O5 S)

Compound Name

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

IUPAC name

4-[(5S6R9S13S)-7-(5-fluoro-2-methoxybenzenesulfonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

COc(ccc(F)c1)c1S(N(C[C@@H]1CCC2)[C@H](CCCC(N3CCOCC3)=O)[C@@H]3[C@H]1N2CCC3)(=O)=O

InChI

InChI=1S/C26H38FN3O5S/c1-34-23-10-9-20(27)17-24(23)36(32,33)30-18-19-5-3-11-29-12-4-6-21(26(19)29)22(30)7-2-8-25(31)28-13-15-35-16-14-28/h9-10,17,19,21-22,26H,2-8,11-16,18H2,1H3/t19-,21-,22-,26-/m1/s1

InChI Key

WETKJKYTMUNELT-RKCWLVDCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

0.253

Water Solubility, LogSw

-2.38

Polar Surface Area

66.692

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

73.08

N106-0406 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0406?
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What is the minimum amount of N106-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0406
  • 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 N106-0406 available by request