N106-0820 Screening compound: (1R,3aS,10aS,10bS)-N~2~-cyclopentyl-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

N106-0820 Screening compound: (1R,3aS,10aS,10bS)-N~2~-cyclopentyl-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
N106-0820 Screening compound: (1R,3aS,10aS,10bS)-N~2~-cyclopentyl-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0820
(1R,3aS,10aS,10bS)-N~2~-cyclopentyl-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}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

N106-0820

Molecular Formula

C25H42N4O2 (C25 H42 N4 O2)

Compound Name

(1R,3aS,10aS,10bS)-N~2~-cyclopentyl-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

IUPAC name

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

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(NC1CCCC1)=O)NCC1CC1

InChI

InChI=1S/C25H42N4O2/c30-23(26-16-18-12-13-18)11-3-10-22-21-9-5-15-28-14-4-6-19(24(21)28)17-29(22)25(31)27-20-7-1-2-8-20/h18-22,24H,1-17H2,(H,26,30)(H,27,31)/t19-,21-,22-,24-/m1/s1

InChI Key

JBOGIBJWJJVLOP-VDEHWKIFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.63

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

2.460

Distribution Coefficient, logD

0.257

Water Solubility, LogSw

-2.60

Polar Surface Area

54.150

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

92.00

N106-0820 in Drug Discovery

Included in Screening Libraries

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

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 N106-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0820?
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What is the minimum amount of N106-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0820
  • 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 N106-0820 available by request