N121-1121 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~-[2-(1-isopropyl-4-piperidyl)ethyl]butanamide

N121-1121 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~-[2-(1-isopropyl-4-piperidyl)ethyl]butanamide
N121-1121 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~-[2-(1-isopropyl-4-piperidyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1121
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(1-isopropyl-4-piperidyl)ethyl]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

N121-1121

Molecular Formula

C31H49N5O2 (C31 H49 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~-[2-(1-isopropyl-4-piperidyl)ethyl]butanamide

IUPAC name

N-{2-[1-(propan-2-yl)piperidin-4-yl]ethyl}-4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

CC(C)N1CCC(CCNC(CCC[C@H]([C@@H]2[C@H]([C@@H](CCC3)C4)N3CCC2)N4C(c2cnccc2)=O)=O)CC1

InChI

InChI=1S/C31H49N5O2/c1-23(2)34-19-13-24(14-20-34)12-16-33-29(37)11-3-10-28-27-9-6-18-35-17-5-8-26(30(27)35)22-36(28)31(38)25-7-4-15-32-21-25/h4,7,15,21,23-24,26-28,30H,3,5-6,8-14,16-20,22H2,1-2H3,(H,33,37)/t26-,27-,28-,30-/m1/s1

InChI Key

RQWDDTVYZGWPJQ-NODMTMHWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.76

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

1.802

Distribution Coefficient, logD

-0.660

Water Solubility, LogSw

-1.54

Polar Surface Area

56.808

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

77.42

N121-1121 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N121-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1121
  • 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 N121-1121 available by request