N121-0882 Screening compound: 4-[(5R6R9S13S)-7-BENZOYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-(1-BENZYLPIPERIDIN-4-YL)BUTANAMIDE

N121-0882 Screening compound: 4-[(5R6R9S13S)-7-BENZOYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-(1-BENZYLPIPERIDIN-4-YL)BUTANAMIDE
N121-0882 Screening compound: 4-[(5R6R9S13S)-7-BENZOYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-(1-BENZYLPIPERIDIN-4-YL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0882
4-[(5R6R9S13S)-7-BENZOYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-(1-BENZYLPIPERIDIN-4-YL)BUTANAMIDE

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

N121-0882

Molecular Formula

C34H46N4O2 (C34 H46 N4 O2)

Compound Name

4-[(5R6R9S13S)-7-BENZOYL-17-DIAZATRICYCLO[7.3.1.0{513}]TRIDECAN-6-YL]-N-(1-BENZYLPIPERIDIN-4-YL)BUTANAMIDE

IUPAC name

n/a

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1ccccc1)=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C34H46N4O2/c39-32(35-29-18-22-36(23-19-29)24-26-10-3-1-4-11-26)17-7-16-31-30-15-9-21-37-20-8-14-28(33(30)37)25-38(31)34(40)27-12-5-2-6-13-27/h1-6,10-13,28-31,33H,7-9,14-25H2,(H,35,39)/t28-,30-,31-,33-/m1/s1

InChI Key

GREZRHBSQACBPX-CSEBVFCESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

0.837

Water Solubility, LogSw

-3.44

Polar Surface Area

46.658

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

58.80

N121-0882 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with N121-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0882?
Check Price and Availability of N121-0882, 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 N121-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0882
  • 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 N121-0882 available by request