N117-0008 Screening compound: N-(2-methoxybenzyl)-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide

N117-0008 Screening compound: N-(2-methoxybenzyl)-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide
N117-0008 Screening compound: N-(2-methoxybenzyl)-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0008
N-(2-methoxybenzyl)-1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-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

N117-0008

Molecular Formula

C26H36N4O4 (C26 H36 N4 O4)

Compound Name

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

IUPAC name

N-[(2-methoxyphenyl)methyl]-1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidine-4-carboxamide

SMILES

COc1c(CNC(C(CC2)CCN2C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)=O)cccc1

InChI

InChI=1S/C26H36N4O4/c1-34-23-7-3-2-5-20(23)14-27-25(32)19-9-11-28(12-10-19)26(33)29-15-18-13-21(17-29)22-6-4-8-24(31)30(22)16-18/h2-3,5,7,18-19,21-22H,4,6,8-17H2,1H3,(H,27,32)/t18-,21+,22+/m0/s1

InChI Key

QJFBTTBJYHSHJJ-VLCRHTCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.928

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.20

Polar Surface Area

66.970

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.39

N117-0008 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N117-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0008?
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What is the minimum amount of N117-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0008
  • 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 N117-0008 available by request