N121-0980 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

N121-0980 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
N121-0980 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0980
4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(5-methyl-1H-pyrazol-4-yl)methyl]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

N121-0980

Molecular Formula

C27H37N5O2 (C27 H37 N5 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

IUPAC name

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

SMILES

Cc1c(CNC(CCC[C@H]([C@@H]2[C@H]([C@@H](CCC3)C4)N3CCC2)N4C(c2ccccc2)=O)=O)cn[nH]1

InChI

InChI=1S/C27H37N5O2/c1-19-22(17-29-30-19)16-28-25(33)13-5-12-24-23-11-7-15-31-14-6-10-21(26(23)31)18-32(24)27(34)20-8-3-2-4-9-20/h2-4,8-9,17,21,23-24,26H,5-7,10-16,18H2,1H3,(H,28,33)(H,29,30)/t21-,23-,24-,26-/m1/s1

InChI Key

MDWIZGUOPSYJMX-IGGXFAESSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.035

Distribution Coefficient, logD

-0.426

Water Solubility, LogSw

-2.31

Polar Surface Area

67.661

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

59.26

N121-0980 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N121-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0980?
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What is the minimum amount of N121-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0980
  • 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 N121-0980 available by request