N121-0676 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~-[2-(dimethylamino)ethyl]butanamide

N121-0676 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~-[2-(dimethylamino)ethyl]butanamide
N121-0676 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~-[2-(dimethylamino)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0676
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(dimethylamino)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

N121-0676

Molecular Formula

C25H41N5O (C25 H41 N5 O)

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~-[2-(dimethylamino)ethyl]butanamide

IUPAC name

n/a

SMILES

CN(C)CCNC(CCC[C@H]1N(Cc2cnccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)=O

InChI

InChI=1S/C25H41N5O/c1-28(2)16-13-27-24(31)11-3-10-23-22-9-6-15-29-14-5-8-21(25(22)29)19-30(23)18-20-7-4-12-26-17-20/h4,7,12,17,21-23,25H,3,5-6,8-11,13-16,18-19H2,1-2H3,(H,27,31)/t21-,22-,23-,25-/m1/s1

InChI Key

MMXLGPPDGOVACD-VWBWNGLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.318

Distribution Coefficient, logD

-1.228

Water Solubility, LogSw

-1.18

Polar Surface Area

44.139

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

76.00

N121-0676 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0676?
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What is the minimum amount of N121-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0676
  • 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 N121-0676 available by request