N106-0813 Screening compound: (1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}-N~2~-(3-methoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

N106-0813 Screening compound: (1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}-N~2~-(3-methoxypropyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
N106-0813 Screening compound: (1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-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 N106-0813
(1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-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

N106-0813

Molecular Formula

C24H42N4O3 (C24 H42 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCCNC(N(C[C@@H]1CCC2)[C@H](CCCC(NCC3CC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C24H42N4O3/c1-31-15-5-12-25-24(30)28-17-19-6-3-13-27-14-4-7-20(23(19)27)21(28)8-2-9-22(29)26-16-18-10-11-18/h18-21,23H,2-17H2,1H3,(H,25,30)(H,26,29)/t19-,20-,21-,23-/m1/s1

InChI Key

OVPFVKCMROLTRR-YYTDSSBASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.492

Distribution Coefficient, logD

-0.710

Water Solubility, LogSw

-1.89

Polar Surface Area

62.514

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

91.67

References: we are preparing a list of scientific research reports with N106-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0813?
Check Price and Availability of N106-0813, 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 N106-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0813
  • 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 N106-0813 available by request