N106-1165 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-phenylbutanamide

N106-1165 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-phenylbutanamide
N106-1165 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1165
4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-phenylbutanamide

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

N106-1165

Molecular Formula

C26H35N5O2 (C26 H35 N5 O2)

Compound Name

4-{(1R,3aS,10aS,10bS)-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-phenylbutanamide

IUPAC name

4-[(5R6R9S13S)-7-(1-methyl-1H-pyrazole-5-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-phenylbutanamide

SMILES

Cn1nccc1C(N(C[C@@H]1CCC2)[C@H](CCCC(Nc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C26H35N5O2/c1-29-23(14-15-27-29)26(33)31-18-19-8-6-16-30-17-7-11-21(25(19)30)22(31)12-5-13-24(32)28-20-9-3-2-4-10-20/h2-4,9-10,14-15,19,21-22,25H,5-8,11-13,16-18H2,1H3,(H,28,32)/t19-,21-,22-,25-/m1/s1

InChI Key

UTELCUNAFZKZPR-PTGPVQHPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.608

Distribution Coefficient, logD

-0.853

Water Solubility, LogSw

-1.94

Polar Surface Area

55.721

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.69

N106-1165 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1165?
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What is the minimum amount of N106-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1165
  • 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 N106-1165 available by request