N106-0584 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

N106-0584 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone
N106-0584 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]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 N106-0584
4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]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

N106-0584

Molecular Formula

C24H39N5O4S (C24 H39 N5 O4 S)

Compound Name

4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

IUPAC name

4-[(5S6R9S13S)-7-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

CCn1ncc(S(N(C[C@@H]2CCC3)[C@H](CCCC(N4CCOCC4)=O)[C@@H]4[C@H]2N3CCC4)(=O)=O)c1

InChI

InChI=1S/C24H39N5O4S/c1-2-28-18-20(16-25-28)34(31,32)29-17-19-6-4-10-27-11-5-7-21(24(19)27)22(29)8-3-9-23(30)26-12-14-33-15-13-26/h16,18-19,21-22,24H,2-15,17H2,1H3/t19-,21-,22-,24-/m1/s1

InChI Key

UHDBGPOCLYOOPD-VDEHWKIFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.147

Distribution Coefficient, logD

-1.179

Water Solubility, LogSw

-1.41

Polar Surface Area

73.564

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

83.33

N106-0584 in Drug Discovery

Included in Screening Libraries

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

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N106-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0584?
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What is the minimum amount of N106-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0584
  • 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 N106-0584 available by request