N117-0108 Screening compound: 1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-phenylpiperidine-4-carboxamide

N117-0108 Screening compound: 1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-phenylpiperidine-4-carboxamide
N117-0108 Screening compound: 1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-phenylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0108
1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-phenylpiperidine-4-carboxamide

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

N117-0108

Molecular Formula

C24H32N4O3 (C24 H32 N4 O3)

Compound Name

1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-phenylpiperidine-4-carboxamide

IUPAC name

1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]-N-phenylpiperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)Nc1ccccc1

InChI

InChI=1S/C24H32N4O3/c29-22-8-4-7-21-19-13-17(15-28(21)22)14-27(16-19)24(31)26-11-9-18(10-12-26)23(30)25-20-5-2-1-3-6-20/h1-3,5-6,17-19,21H,4,7-16H2,(H,25,30)/t17-,19+,21+/m0/s1

InChI Key

OFXQZXAXGQXLSQ-FBBABVLZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.826

Distribution Coefficient, logD

1.826

Water Solubility, LogSw

-2.09

Polar Surface Area

58.017

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

62.50

N117-0108 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N117-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0108?
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What is the minimum amount of N117-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0108
  • 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 N117-0108 available by request