S768-0264 Screening compound: 7-hydroxy-1-(2-methoxyethyl)-N~9~-[2-(4-pyridyl)ethyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide

S768-0264 Screening compound: 7-hydroxy-1-(2-methoxyethyl)-N~9~-[2-(4-pyridyl)ethyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
S768-0264 Screening compound: 7-hydroxy-1-(2-methoxyethyl)-N~9~-[2-(4-pyridyl)ethyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0264
7-hydroxy-1-(2-methoxyethyl)-N~9~-[2-(4-pyridyl)ethyl]-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

S768-0264

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

7-hydroxy-1-(2-methoxyethyl)-N~9~-[2-(4-pyridyl)ethyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide

IUPAC name

n/a

SMILES

COCCN(CCCCCC1O)c(cc2)c1cc2C(NCCc1ccncc1)=O

InChI

InChI=1S/C23H31N3O3/c1-29-16-15-26-14-4-2-3-5-22(27)20-17-19(6-7-21(20)26)23(28)25-13-10-18-8-11-24-12-9-18/h6-9,11-12,17,22,27H,2-5,10,13-16H2,1H3,(H,25,28)/t22-/m0/s1

InChI Key

KLNLYNHDTFJBFT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30464471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.171

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.76

Polar Surface Area

61.023

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

S768-0264 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S768-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0264?
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What is the minimum amount of S768-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0264
  • 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 S768-0264 available by request