N106-0329 Screening compound: 4-{(1R,3AS,10AS,10BS)-2-[2-(3-METHOXYPHENYL)ACETYL]DECAHYDRO-1H,4H-PYRIDO[3,2,1-IJ][1,6]NAPHTHYRIDIN-1-YL}-1-MORPHOLINO-1-BUTANONE

N106-0329 Screening compound: 4-{(1R,3AS,10AS,10BS)-2-[2-(3-METHOXYPHENYL)ACETYL]DECAHYDRO-1H,4H-PYRIDO[3,2,1-IJ][1,6]NAPHTHYRIDIN-1-YL}-1-MORPHOLINO-1-BUTANONE
N106-0329 Screening compound: 4-{(1R,3AS,10AS,10BS)-2-[2-(3-METHOXYPHENYL)ACETYL]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 N106-0329
4-{(1R,3AS,10AS,10BS)-2-[2-(3-METHOXYPHENYL)ACETYL]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

N106-0329

Molecular Formula

C28H41N3O4 (C28 H41 N3 O4)

Compound Name

4-{(1R,3AS,10AS,10BS)-2-[2-(3-METHOXYPHENYL)ACETYL]DECAHYDRO-1H,4H-PYRIDO[3,2,1-IJ][1,6]NAPHTHYRIDIN-1-YL}-1-MORPHOLINO-1-BUTANONE

IUPAC name

4-[(5R6R9S13S)-7-[2-(3-methoxyphenyl)acetyl]-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

COc1cccc(CC(N(C[C@@H]2CCC3)[C@H](CCCC(N4CCOCC4)=O)[C@@H]4[C@H]2N3CCC4)=O)c1

InChI

InChI=1S/C28H41N3O4/c1-34-23-8-2-6-21(18-23)19-27(33)31-20-22-7-4-12-30-13-5-9-24(28(22)30)25(31)10-3-11-26(32)29-14-16-35-17-15-29/h2,6,8,18,22,24-25,28H,3-5,7,9-17,19-20H2,1H3/t22-,24-,25-,28-/m1/s1

InChI Key

LLLZVDLJNBQGII-ZYWWQZICSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

-0.692

Water Solubility, LogSw

-2.10

Polar Surface Area

50.239

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

71.43

N106-0329 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0329?
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What is the minimum amount of N106-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0329
  • 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 N106-0329 available by request