N121-1093 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(1-pyrrolidinyl)propyl]butanamide

N121-1093 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(1-pyrrolidinyl)propyl]butanamide
N121-1093 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(1-pyrrolidinyl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1093
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(1-pyrrolidinyl)propyl]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

N121-1093

Molecular Formula

C28H43N5O2 (C28 H43 N5 O2)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[3-(pyrrolidin-1-yl)propyl]butanamide

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cnccc1)=O)NCCCN1CCCC1

InChI

InChI=1S/C28H43N5O2/c34-26(30-14-7-17-31-15-1-2-16-31)12-3-11-25-24-10-6-19-32-18-5-9-23(27(24)32)21-33(25)28(35)22-8-4-13-29-20-22/h4,8,13,20,23-25,27H,1-3,5-7,9-12,14-19,21H2,(H,30,34)/t23-,24-,25-,27-/m1/s1

InChI Key

PICSVRBMWFXITB-DLGLWYJGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.642

Distribution Coefficient, logD

-2.448

Water Solubility, LogSw

-1.10

Polar Surface Area

57.100

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

75.00

N121-1093 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-1093?
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What is the minimum amount of N121-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1093
  • 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 N121-1093 available by request