N106-1076 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-propyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

N106-1076 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-propyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
N106-1076 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-propyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1076
(1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-propyloctahydro-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

N106-1076

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H38N4O2/c1-2-15-26-25(31)29-18-19-9-7-16-28-17-8-12-21(24(19)28)22(29)13-6-14-23(30)27-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,2,6-9,12-18H2,1H3,(H,26,31)(H,27,30)/t19-,21-,22-,24-/m1/s1

InChI Key

ROBBRCWBKZTBQI-VDEHWKIFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

0.696

Water Solubility, LogSw

-3.34

Polar Surface Area

52.326

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

68.00

N106-1076 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N106-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1076?
Check Price and Availability of N106-1076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N106-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1076
  • 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 N106-1076 available by request