S768-0257 Screening compound: N-[(3,5-difluorophenyl)methyl]-7-hydroxy-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide

S768-0257 Screening compound: N-[(3,5-difluorophenyl)methyl]-7-hydroxy-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
S768-0257 Screening compound: N-[(3,5-difluorophenyl)methyl]-7-hydroxy-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0257
N-[(3,5-difluorophenyl)methyl]-7-hydroxy-1-(2-methoxyethyl)-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

S768-0257

Molecular Formula

C23H28F2N2O3 (C23 H28 F2 N2 O3)

Compound Name

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

IUPAC name

N-[(35-difluorophenyl)methyl]-7-hydroxy-1-(2-methoxyethyl)-234567-hexahydro-1H-1-benzazonine-9-carboxamide

SMILES

COCCN(CCCCCC1O)c(cc2)c1cc2C(NCc1cc(F)cc(F)c1)=O

InChI

InChI=1S/C23H28F2N2O3/c1-30-10-9-27-8-4-2-3-5-22(28)20-13-17(6-7-21(20)27)23(29)26-15-16-11-18(24)14-19(25)12-16/h6-7,11-14,22,28H,2-5,8-10,15H2,1H3,(H,26,29)/t22-/m0/s1

InChI Key

SHSNJOGMMICIDX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30464470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.20

Polar Surface Area

51.754

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S768-0257 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S768-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0257?
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What is the minimum amount of S768-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0257
  • 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 S768-0257 available by request