N106-1213 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(4-methylbenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide
Chemical Structure Depiction of ChemDiv screening compound N106-1213
4-[(1R,3aS,10aS,10bS)-2-(4-methylbenzoyl)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
N106-1213
Molecular Formula
C29H37N3O2 (C29 H37 N3 O2)
Compound Name
4-[(1R,3aS,10aS,10bS)-2-(4-methylbenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide
IUPAC name
4-[(5R6R9S13S)-7-(4-methylbenzoyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-phenylbutanamide
SMILES
Cc(cc1)ccc1C(N(C[C@@H]1CCC2)[C@H](CCCC(Nc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
459.63
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.687
Distribution Coefficient, logD
1.225
Water Solubility, LogSw
-3.82
Polar Surface Area
42.070
Acid Dissociation Constant (pKa)
12.52
Base Dissociation Constant (pKb)
9.86
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
51.72
N106-1213 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
Natural-Product-Based Library (3730 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Antiviral
- Infections
- Immune system
- Eye
- GPCR
- Ion Channels
- Receptor's ligands
- Pool
References: we are preparing a list of scientific research reports with N106-1213 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)