N106-0445 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-furylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

N106-0445 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-furylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone
N106-0445 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-furylcarbonyl)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 N106-0445
4-[(1R,3aS,10aS,10bS)-2-(2-furylcarbonyl)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

N106-0445

Molecular Formula

C24H35N3O4 (C24 H35 N3 O4)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-(furan-2-carbonyl)-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)N3C(c1ccco1)=O)N1CCOCC1

InChI

InChI=1S/C24H35N3O4/c28-22(25-12-15-30-16-13-25)9-1-7-20-19-6-3-11-26-10-2-5-18(23(19)26)17-27(20)24(29)21-8-4-14-31-21/h4,8,14,18-20,23H,1-3,5-7,9-13,15-17H2/t18-,19-,20-,23-/m1/s1

InChI Key

VZIXXFJZHCLJEJ-GLHSZLCASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.913

Distribution Coefficient, logD

-1.548

Water Solubility, LogSw

-1.34

Polar Surface Area

51.800

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

75.00

N106-0445 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N106-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0445?
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What is the minimum amount of N106-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0445
  • 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 N106-0445 available by request