N106-0440 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-cyclopentylacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

N106-0440 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-cyclopentylacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone
N106-0440 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-cyclopentylacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0440
4-[(1R,3aS,10aS,10bS)-2-(2-cyclopentylacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-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

N106-0440

Molecular Formula

C26H43N3O3 (C26 H43 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(CC1CCCC1)=O)N1CCOCC1

InChI

InChI=1S/C26H43N3O3/c30-24(27-14-16-32-17-15-27)11-3-10-23-22-9-5-13-28-12-4-8-21(26(22)28)19-29(23)25(31)18-20-6-1-2-7-20/h20-23,26H,1-19H2/t21-,22-,23-,26-/m1/s1

InChI Key

DCRHIMRPMMPFEK-ICLZECGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

-0.661

Water Solubility, LogSw

-2.16

Polar Surface Area

43.253

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

92.31

N106-0440 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 N106-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0440?
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What is the minimum amount of N106-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0440
  • 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 N106-0440 available by request