N121-1133 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-[cyclohexyl(methyl)amino]ethyl}butanamide

N121-1133 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-[cyclohexyl(methyl)amino]ethyl}butanamide
N121-1133 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-[cyclohexyl(methyl)amino]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1133
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-{2-[cyclohexyl(methyl)amino]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

N121-1133

Molecular Formula

C30H47N5O2 (C30 H47 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-[cyclohexyl(methyl)amino]ethyl}butanamide

IUPAC name

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

SMILES

CN(CCNC(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cnccc1)=O)=O)C1CCCCC1

InChI

InChI=1S/C30H47N5O2/c1-33(25-11-3-2-4-12-25)20-17-32-28(36)15-5-14-27-26-13-8-19-34-18-7-10-24(29(26)34)22-35(27)30(37)23-9-6-16-31-21-23/h6,9,16,21,24-27,29H,2-5,7-8,10-15,17-20,22H2,1H3,(H,32,36)/t24-,26-,27-,29-/m1/s1

InChI Key

XTPDZDKBTKFPCC-UNXBZVTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.74

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

1.625

Distribution Coefficient, logD

-0.837

Water Solubility, LogSw

-1.49

Polar Surface Area

55.790

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

76.67

N121-1133 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 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
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-1133 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.
Delivery options for N121-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1133
  • 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 N121-1133 available by request