N121-1107 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-methyl-1H-1,3-benzimidazol-2-yl)ethyl]butanamide

N121-1107 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-methyl-1H-1,3-benzimidazol-2-yl)ethyl]butanamide
N121-1107 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-methyl-1H-1,3-benzimidazol-2-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1107
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-methyl-1H-1,3-benzimidazol-2-yl)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

N121-1107

Molecular Formula

C31H40N6O2 (C31 H40 N6 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-methyl-1H-1,3-benzimidazol-2-yl)ethyl]butanamide

IUPAC name

N-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]-4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

Cn1c(cccc2)c2nc1CCNC(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cnccc1)=O)=O

InChI

InChI=1S/C31H40N6O2/c1-35-27-12-3-2-11-25(27)34-28(35)15-17-33-29(38)14-4-13-26-24-10-7-19-36-18-6-9-23(30(24)36)21-37(26)31(39)22-8-5-16-32-20-22/h2-3,5,8,11-12,16,20,23-24,26,30H,4,6-7,9-10,13-15,17-19,21H2,1H3,(H,33,38)/t23-,24-,26-,30-/m1/s1

InChI Key

LPNVBBFHUNRUST-JVUUKAHWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

-1.050

Water Solubility, LogSw

-1.38

Polar Surface Area

64.738

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

54.84

N121-1107 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N121-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-1107?
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What is the minimum amount of N121-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1107
  • 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 N121-1107 available by request