N117-0019 Screening compound: 1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

N117-0019 Screening compound: 1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
N117-0019 Screening compound: 1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0019
1-{[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-N-(pyridin-2-ylmethyl)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

N117-0019

Molecular Formula

C24H33N5O3 (C24 H33 N5 O3)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(C(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)NCc1ncccc1

InChI

InChI=1S/C24H33N5O3/c30-22-6-3-5-21-19-12-17(15-29(21)22)14-28(16-19)24(32)27-10-7-18(8-11-27)23(31)26-13-20-4-1-2-9-25-20/h1-2,4,9,17-19,21H,3,5-8,10-16H2,(H,26,31)/t17-,19+,21+/m0/s1

InChI Key

ZCAIAJFCWLOSKV-FBBABVLZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.797

Distribution Coefficient, logD

0.797

Water Solubility, LogSw

-1.49

Polar Surface Area

68.882

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with N117-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0019?
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What is the minimum amount of N117-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0019
  • 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 N117-0019 available by request