N121-0643 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-ethylpiperazino)-1-butanone

N121-0643 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-ethylpiperazino)-1-butanone
N121-0643 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-ethylpiperazino)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0643
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-ethylpiperazino)-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

N121-0643

Molecular Formula

C27H43N5O (C27 H43 N5 O)

Compound Name

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

IUPAC name

1-(4-ethylpiperazin-1-yl)-4-[(5R6R9S13S)-7-[(pyridin-3-yl)methyl]-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butan-1-one

SMILES

CCN(CC1)CCN1C(CCC[C@H]1N(Cc2cnccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)=O

InChI

InChI=1S/C27H43N5O/c1-2-29-15-17-30(18-16-29)26(33)11-3-10-25-24-9-6-14-31-13-5-8-23(27(24)31)21-32(25)20-22-7-4-12-28-19-22/h4,7,12,19,23-25,27H,2-3,5-6,8-11,13-18,20-21H2,1H3/t23-,24-,25-,27-/m1/s1

InChI Key

JMWPDPVPFNOMFA-DLGLWYJGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.67

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

1.009

Distribution Coefficient, logD

-0.201

Water Solubility, LogSw

-1.15

Polar Surface Area

35.618

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

77.78

N121-0643 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 N121-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0643?
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What is the minimum amount of N121-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0643
  • 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 N121-0643 available by request