N106-0334 Screening compound: 1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-2-ethyl-1-butanone

N106-0334 Screening compound: 1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-2-ethyl-1-butanone
N106-0334 Screening compound: 1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-2-ethyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0334
1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-2-ethyl-1-butanone

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

N106-0334

Molecular Formula

C25H43N3O3 (C25 H43 N3 O3)

Compound Name

1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-2-ethyl-1-butanone

IUPAC name

2-ethyl-1-[(5R6R9S13S)-6-[4-(morpholin-4-yl)-4-oxobutyl]-17-diazatricyclo[7.3.1.0^{513}]tridecan-7-yl]butan-1-one

SMILES

CCC(CC)C(N(C[C@@H]1CCC2)[C@H](CCCC(N3CCOCC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C25H43N3O3/c1-3-19(4-2)25(30)28-18-20-8-6-12-27-13-7-9-21(24(20)27)22(28)10-5-11-23(29)26-14-16-31-17-15-26/h19-22,24H,3-18H2,1-2H3/t20-,21-,22-,24-/m1/s1

InChI Key

WZRCUWUXXJYGSG-GBEXAXCTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.030

Distribution Coefficient, logD

-0.548

Water Solubility, LogSw

-2.00

Polar Surface Area

43.494

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

92.00

N106-0334 in Drug Discovery

Included in Screening Libraries

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 N106-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0334?
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What is the minimum amount of N106-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0334
  • 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 N106-0334 available by request