N106-0621 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

N106-0621 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide
N106-0621 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0621
4-[(1R,3aS,10aS,10bS)-2-(2-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

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

N106-0621

Molecular Formula

C26H36FN3O2 (C26 H36 FN3 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(2-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

IUPAC name

N-(cyclopropylmethyl)-4-[(5R6R9S13S)-7-(2-fluorobenzoyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c(cccc1)c1F)=O)NCC1CC1

InChI

InChI=1S/C26H36FN3O2/c27-22-9-2-1-7-20(22)26(32)30-17-19-6-4-14-29-15-5-8-21(25(19)29)23(30)10-3-11-24(31)28-16-18-12-13-18/h1-2,7,9,18-19,21,23,25H,3-6,8,10-17H2,(H,28,31)/t19-,21-,23-,25-/m1/s1

InChI Key

JQNPTTSQAXFTJB-RKQHTQASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

-0.022

Water Solubility, LogSw

-2.90

Polar Surface Area

43.916

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

69.23

N106-0621 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N106-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0621?
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What is the minimum amount of N106-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0621
  • 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 N106-0621 available by request