N121-0781 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]butanamide

N121-0781 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]butanamide
N121-0781 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0781
4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methyl-N~1~-[2-(2-pyridyl)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

N121-0781

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methyl-N~1~-[2-(2-pyridyl)ethyl]butanamide

IUPAC name

n/a

SMILES

CC(N(C[C@@H]1CCC2)[C@H](CCCC(N(C)CCc3ncccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C25H38N4O2/c1-19(30)29-18-20-8-6-15-28-16-7-10-22(25(20)28)23(29)11-5-12-24(31)27(2)17-13-21-9-3-4-14-26-21/h3-4,9,14,20,22-23,25H,5-8,10-13,15-18H2,1-2H3/t20-,22-,23-,25-/m1/s1

InChI Key

HQEVCMWNPWOTBK-HBAHCVPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.143

Distribution Coefficient, logD

-1.435

Water Solubility, LogSw

-1.62

Polar Surface Area

45.077

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

72.00

References: we are preparing a list of scientific research reports with N121-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0781?
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What is the minimum amount of N121-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0781
  • 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 N121-0781 available by request