S768-0017 Screening compound: N~9~-(1-benzyl-4-piperidyl)-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide

S768-0017 Screening compound: N~9~-(1-benzyl-4-piperidyl)-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
S768-0017 Screening compound: N~9~-(1-benzyl-4-piperidyl)-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0017
N~9~-(1-benzyl-4-piperidyl)-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-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

S768-0017

Molecular Formula

C26H35N3O2 (C26 H35 N3 O2)

Compound Name

N~9~-(1-benzyl-4-piperidyl)-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide

IUPAC name

n/a

SMILES

CN(CCCCCC1O)c(cc2)c1cc2C(NC1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C26H35N3O2/c1-28-15-7-3-6-10-25(30)23-18-21(11-12-24(23)28)26(31)27-22-13-16-29(17-14-22)19-20-8-4-2-5-9-20/h2,4-5,8-9,11-12,18,22,25,30H,3,6-7,10,13-17,19H2,1H3,(H,27,31)/t25-/m0/s1

InChI Key

ONPZJGOQOLSWIP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD30461692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-3.70

Polar Surface Area

46.414

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S768-0017 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S768-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0017?
Check Price and Availability of S768-0017, 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 S768-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0017
  • 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 S768-0017 available by request