N106-1363 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-propionyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

N106-1363 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-propionyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide
N106-1363 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-propionyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1363
4-[(1R,3aS,10aS,10bS)-2-propionyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

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

N106-1363

Molecular Formula

C25H37N3O2 (C25 H37 N3 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-propionyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

IUPAC name

N-benzyl-4-[(5R6R9S13S)-7-propanoyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

CCC(N(C[C@@H]1CCC2)[C@H](CCCC(NCc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C25H37N3O2/c1-2-24(30)28-18-20-11-7-15-27-16-8-12-21(25(20)27)22(28)13-6-14-23(29)26-17-19-9-4-3-5-10-19/h3-5,9-10,20-22,25H,2,6-8,11-18H2,1H3,(H,26,29)/t20-,21-,22-,25-/m1/s1

InChI Key

WOLXEDKRNDHKSB-NMOFPLQQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

-0.384

Water Solubility, LogSw

-2.46

Polar Surface Area

43.137

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

68.00

N106-1363 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 N106-1363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1363?
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What is the minimum amount of N106-1363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1363
  • 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 N106-1363 available by request