N121-0547 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-pyridylmethyl)butanamide

N121-0547 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-pyridylmethyl)butanamide
N121-0547 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-pyridylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0547
4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-pyridylmethyl)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

N121-0547

Molecular Formula

C28H38N4O (C28 H38 N4 O)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-pyridylmethyl)butanamide

IUPAC name

4-[(5R6R9S13S)-7-benzyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[(pyridin-3-yl)methyl]butanamide

SMILES

O=C(CCC[C@H]1N(Cc2ccccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)NCc1cnccc1

InChI

InChI=1S/C28H38N4O/c33-27(30-19-23-10-5-15-29-18-23)14-4-13-26-25-12-7-17-31-16-6-11-24(28(25)31)21-32(26)20-22-8-2-1-3-9-22/h1-3,5,8-10,15,18,24-26,28H,4,6-7,11-14,16-17,19-21H2,(H,30,33)/t24-,25-,26-,28-/m1/s1

InChI Key

OOIKCECSBOWCJG-IYUNARRTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

1.016

Water Solubility, LogSw

-2.21

Polar Surface Area

40.160

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.14

N121-0547 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 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
  • Nervous system
  • Nervous 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 N121-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0547?
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What is the minimum amount of N121-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0547
  • 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 N121-0547 available by request