N106-0678 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(1,3-benzodioxol-5-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

N106-0678 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(1,3-benzodioxol-5-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide
N106-0678 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(1,3-benzodioxol-5-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0678
4-[(1R,3aS,10aS,10bS)-2-(1,3-benzodioxol-5-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)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

N106-0678

Molecular Formula

C27H37N3O4 (C27 H37 N3 O4)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(1,3-benzodioxol-5-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

IUPAC name

4-[(5R6R9S13S)-7-(2H-13-benzodioxole-5-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-(cyclopropylmethyl)butanamide

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c(cc1)cc2c1OCO2)=O)NCC1CC1

InChI

InChI=1S/C27H37N3O4/c31-25(28-15-18-8-9-18)7-1-6-22-21-5-3-13-29-12-2-4-20(26(21)29)16-30(22)27(32)19-10-11-23-24(14-19)34-17-33-23/h10-11,14,18,20-22,26H,1-9,12-13,15-17H2,(H,28,31)/t20-,21-,22-,26-/m1/s1

InChI Key

TVHVPOXZFPBPSW-PIXQIBFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

-0.233

Water Solubility, LogSw

-2.87

Polar Surface Area

61.031

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.37

N106-0678 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N106-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0678?
Check Price and Availability of N106-0678, 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 N106-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0678
  • 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 N106-0678 available by request