N106-1312 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

N106-1312 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide
N106-1312 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1312
4-[(1R,3aS,10aS,10bS)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)decahydro-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

N106-1312

Molecular Formula

C28H41N3O3 (C28 H41 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(C1CCOCC1)=O)NCc1ccccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.209

Distribution Coefficient, logD

-0.369

Water Solubility, LogSw

-2.54

Polar Surface Area

51.493

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

71.43

N106-1312 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with N106-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1312?
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What is the minimum amount of N106-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1312
  • 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 N106-1312 available by request