N106-1120 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-methoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

N106-1120 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-methoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
N106-1120 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-methoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1120
(1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-methoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

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

N106-1120

Molecular Formula

C26H40N4O3 (C26 H40 N4 O3)

Compound Name

(1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(3-methoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

IUPAC name

(5R6R9S13S)-N-(3-methoxypropyl)-6-[3-(phenylcarbamoyl)propyl]-17-diazatricyclo[7.3.1.0^{513}]tridecane-7-carboxamide

SMILES

COCCCNC(N(C[C@@H]1CCC2)[C@H](CCCC(Nc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C26H40N4O3/c1-33-18-8-15-27-26(32)30-19-20-9-6-16-29-17-7-12-22(25(20)29)23(30)13-5-14-24(31)28-21-10-3-2-4-11-21/h2-4,10-11,20,22-23,25H,5-9,12-19H2,1H3,(H,27,32)(H,28,31)/t20-,22-,23-,25-/m1/s1

InChI Key

ZJQQZSXQDMUZBN-HBAHCVPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

0.162

Water Solubility, LogSw

-2.86

Polar Surface Area

60.669

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

69.23

N106-1120 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1120?
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What is the minimum amount of N106-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1120
  • 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 N106-1120 available by request