N106-0869 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-(cyclopropylmethyl)butanamide

N106-0869 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-(cyclopropylmethyl)butanamide
N106-0869 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-(cyclopropylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0869
4-{(1R,3aS,10aS,10bS)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-(cyclopropylmethyl)butanamide

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

N106-0869

Molecular Formula

C25H39N5O2 (C25 H39 N5 O2)

Compound Name

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

IUPAC name

N-(cyclopropylmethyl)-4-[(5R6R9S13S)-7-(1-ethyl-1H-pyrazole-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

CCn(cc1)nc1C(N(C[C@@H]1CCC2)[C@H](CCCC(NCC3CC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C25H39N5O2/c1-2-29-15-12-21(27-29)25(32)30-17-19-6-4-13-28-14-5-7-20(24(19)28)22(30)8-3-9-23(31)26-16-18-10-11-18/h12,15,18-20,22,24H,2-11,13-14,16-17H2,1H3,(H,26,31)/t19-,20-,22-,24-/m1/s1

InChI Key

LGMBUVAUKKYZBA-QVHJCDIPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.120

Distribution Coefficient, logD

-1.342

Water Solubility, LogSw

-2.12

Polar Surface Area

58.301

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

80.00

N106-0869 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 N106-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0869?
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What is the minimum amount of N106-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0869
  • 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 N106-0869 available by request