N106-0983 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

N106-0983 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide
N106-0983 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0983
4-[(1R,3aS,10aS,10bS)-2-(3-methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

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

N106-0983

Molecular Formula

C29H37N3O3 (C29 H37 N3 O3)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-(3-methoxybenzoyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-phenylbutanamide

SMILES

COc1cccc(C(N(C[C@@H]2CCC3)[C@H](CCCC(Nc4ccccc4)=O)[C@@H]4[C@H]2N3CCC4)=O)c1

InChI

InChI=1S/C29H37N3O3/c1-35-24-13-5-9-21(19-24)29(34)32-20-22-10-7-17-31-18-8-14-25(28(22)31)26(32)15-6-16-27(33)30-23-11-3-2-4-12-23/h2-5,9,11-13,19,22,25-26,28H,6-8,10,14-18,20H2,1H3,(H,30,33)/t22-,25-,26-,28-/m1/s1

InChI Key

RSHVCNFAKMMVEX-WKZNCHQYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

0.780

Water Solubility, LogSw

-3.61

Polar Surface Area

49.614

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

51.72

N106-0983 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 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
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • 3D
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N106-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0983?
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What is the minimum amount of N106-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0983
  • 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 N106-0983 available by request