N121-0634 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxyphenyl)butanamide

N121-0634 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxyphenyl)butanamide
N121-0634 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0634
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxyphenyl)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

N121-0634

Molecular Formula

C28H38N4O2 (C28 H38 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(CCC[C@H]2N(Cc3cnccc3)C[C@H](CCC3)[C@@H]4N3CCC[C@H]24)=O)c1

InChI

InChI=1S/C28H38N4O2/c1-34-24-10-2-9-23(17-24)30-27(33)13-3-12-26-25-11-6-16-31-15-5-8-22(28(25)31)20-32(26)19-21-7-4-14-29-18-21/h2,4,7,9-10,14,17-18,22,25-26,28H,3,5-6,8,11-13,15-16,19-20H2,1H3,(H,30,33)/t22-,25-,26-,28-/m1/s1

InChI Key

VSMWLKHCCFZFLZ-WKZNCHQYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-2.55

Polar Surface Area

46.382

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.14

N121-0634 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0634?
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What is the minimum amount of N121-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0634
  • 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 N121-0634 available by request