N106-1237 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(4-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

N106-1237 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(4-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide
N106-1237 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(4-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1237
4-[(1R,3aS,10aS,10bS)-2-(4-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

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

N106-1237

Molecular Formula

C29H36FN3O2 (C29 H36 FN3 O2)

Compound Name

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

IUPAC name

N-benzyl-4-[(5R6R9S13S)-7-(4-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(cc1)ccc1F)=O)NCc1ccccc1

InChI

InChI=1S/C29H36FN3O2/c30-24-15-13-22(14-16-24)29(35)33-20-23-9-5-17-32-18-6-10-25(28(23)32)26(33)11-4-12-27(34)31-19-21-7-2-1-3-8-21/h1-3,7-8,13-16,23,25-26,28H,4-6,9-12,17-20H2,(H,31,34)/t23-,25-,26-,28-/m1/s1

InChI Key

YTEZZFJQZWMTAC-GTVIQNQPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.62

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

3.184

Distribution Coefficient, logD

0.723

Water Solubility, LogSw

-3.33

Polar Surface Area

43.393

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

51.72

N106-1237 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 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
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N106-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1237?
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What is the minimum amount of N106-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1237
  • 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 N106-1237 available by request