N117-0029 Screening compound: (1R,11aR)-3-({4-[(4-cyclohexylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

N117-0029 Screening compound: (1R,11aR)-3-({4-[(4-cyclohexylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
N117-0029 Screening compound: (1R,11aR)-3-({4-[(4-cyclohexylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0029
(1R,11aR)-3-({4-[(4-cyclohexylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)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

N117-0029

Molecular Formula

C28H45N5O3 (C28 H45 N5 O3)

Compound Name

(1R,11aR)-3-({4-[(4-cyclohexylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

IUPAC name

(1R2R9S)-11-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-carbonyl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(C(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C28H45N5O3/c34-26-8-4-7-25-23-17-21(19-33(25)26)18-32(20-23)28(36)31-11-9-22(10-12-31)27(35)30-15-13-29(14-16-30)24-5-2-1-3-6-24/h21-25H,1-20H2/t21-,23+,25+/m0/s1

InChI Key

LTMVKPASIKFZDX-QQKQFIJSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

1.864

Water Solubility, LogSw

-2.04

Polar Surface Area

54.668

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

89.29

N117-0029 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N117-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0029?
Check Price and Availability of N117-0029, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N117-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0029
  • 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 N117-0029 available by request