N106-0387 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(2,4-difluorophenyl)sulfonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

N106-0387 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(2,4-difluorophenyl)sulfonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone
N106-0387 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(2,4-difluorophenyl)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 N106-0387
4-{(1R,3aS,10aS,10bS)-2-[(2,4-difluorophenyl)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

N106-0387

Molecular Formula

C25H35F2N3O4S (C25 H35 F2 N3 O4 S)

Compound Name

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

IUPAC name

4-[(5S6R9S13S)-7-(24-difluorobenzenesulfonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3S(c(ccc(F)c1)c1F)(=O)=O)N1CCOCC1

InChI

InChI=1S/C25H35F2N3O4S/c26-19-8-9-23(21(27)16-19)35(32,33)30-17-18-4-2-10-29-11-3-5-20(25(18)29)22(30)6-1-7-24(31)28-12-14-34-15-13-28/h8-9,16,18,20,22,25H,1-7,10-15,17H2/t18-,20-,22-,25-/m1/s1

InChI Key

SIPUAYZQHFDORW-BEVVLCPKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

0.438

Water Solubility, LogSw

-2.51

Polar Surface Area

59.062

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

72.00

N106-0387 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 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 N106-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0387?
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What is the minimum amount of N106-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0387
  • 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 N106-0387 available by request