S768-0062 Screening compound: 7-hydroxy-1-methyl-N-[(2-methylphenyl)methyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide

S768-0062 Screening compound: 7-hydroxy-1-methyl-N-[(2-methylphenyl)methyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
S768-0062 Screening compound: 7-hydroxy-1-methyl-N-[(2-methylphenyl)methyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0062
7-hydroxy-1-methyl-N-[(2-methylphenyl)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

S768-0062

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

7-hydroxy-1-methyl-N-[(2-methylphenyl)methyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide

IUPAC name

7-hydroxy-1-methyl-N-[(2-methylphenyl)methyl]-234567-hexahydro-1H-1-benzazonine-9-carboxamide

SMILES

Cc1c(CNC(c(cc2)cc3c2N(C)CCCCCC3O)=O)cccc1

InChI

InChI=1S/C22H28N2O2/c1-16-8-5-6-9-18(16)15-23-22(26)17-11-12-20-19(14-17)21(25)10-4-3-7-13-24(20)2/h5-6,8-9,11-12,14,21,25H,3-4,7,10,13,15H2,1-2H3,(H,23,26)/t21-/m0/s1

InChI Key

LFKZTEOZWSSFCV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30461682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.00

Polar Surface Area

43.148

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S768-0062 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Macrocycles Library (2450 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S768-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0062?
Check Price and Availability of S768-0062, 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 S768-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0062
  • 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 S768-0062 available by request