N121-0599 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~-methylbutanamide

N121-0599 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~-methylbutanamide
N121-0599 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0599
4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~-methylbutanamide

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

N121-0599

Molecular Formula

C30H45N5O (C30 H45 N5 O)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~-methylbutanamide

IUPAC name

4-[(5R6R9S13S)-7-benzyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylbutanamide

SMILES

CCn1nc(C)c(CN(C)C(CCC[C@H]2N(Cc3ccccc3)C[C@H](CCC3)[C@@H]4N3CCC[C@H]24)=O)c1

InChI

InChI=1S/C30H45N5O/c1-4-35-22-26(23(2)31-35)20-32(3)29(36)16-8-15-28-27-14-10-18-33-17-9-13-25(30(27)33)21-34(28)19-24-11-6-5-7-12-24/h5-7,11-12,22,25,27-28,30H,4,8-10,13-21H2,1-3H3/t25-,27-,28-,30-/m1/s1

InChI Key

JIVNYTCCNQWXFY-MZAPLOMJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

1.620

Water Solubility, LogSw

-2.90

Polar Surface Area

36.921

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

66.67

N121-0599 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 N121-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0599?
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What is the minimum amount of N121-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0599
  • 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 N121-0599 available by request