N106-0999 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-methoxypropanoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

N106-0999 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-methoxypropanoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide
N106-0999 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-methoxypropanoyl)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 N106-0999
4-[(1R,3aS,10aS,10bS)-2-(3-methoxypropanoyl)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

N106-0999

Molecular Formula

C25H37N3O3 (C25 H37 N3 O3)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-(3-methoxypropanoyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-phenylbutanamide

SMILES

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

InChI

InChI=1S/C25H37N3O3/c1-31-17-14-24(30)28-18-19-8-6-15-27-16-7-11-21(25(19)27)22(28)12-5-13-23(29)26-20-9-3-2-4-10-20/h2-4,9-10,19,21-22,25H,5-8,11-18H2,1H3,(H,26,29)/t19-,21-,22-,25-/m1/s1

InChI Key

YNNODOMKGFZVAO-PTGPVQHPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.664

Distribution Coefficient, logD

-0.913

Water Solubility, LogSw

-2.06

Polar Surface Area

50.157

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

68.00

References: we are preparing a list of scientific research reports with N106-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0999?
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What is the minimum amount of N106-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0999
  • 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 N106-0999 available by request