N109-0070 Screening compound: (1R,5R,11aR)-3-[1-(quinolin-2-ylcarbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

N109-0070 Screening compound: (1R,5R,11aR)-3-[1-(quinolin-2-ylcarbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
N109-0070 Screening compound: (1R,5R,11aR)-3-[1-(quinolin-2-ylcarbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0070
(1R,5R,11aR)-3-[1-(quinolin-2-ylcarbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

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

N109-0070

Molecular Formula

C26H32N4O2 (C26 H32 N4 O2)

Compound Name

(1R,5R,11aR)-3-[1-(quinolin-2-ylcarbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

IUPAC name

(1R2R9R)-11-[1-(quinoline-2-carbonyl)piperidin-4-yl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(c1nc2ccccc2cc1)N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C26H32N4O2/c31-25-7-3-6-24-20-14-18(16-30(24)25)15-29(17-20)21-10-12-28(13-11-21)26(32)23-9-8-19-4-1-2-5-22(19)27-23/h1-2,4-5,8-9,18,20-21,24H,3,6-7,10-17H2/t18-,20+,24+/m0/s1

InChI Key

VYFNCNWUSQMPQJ-MFSJNOQSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

-0.409

Water Solubility, LogSw

-3.22

Polar Surface Area

44.544

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.69

N109-0070 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N109-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0070?
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What is the minimum amount of N109-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0070
  • 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 N109-0070 available by request