S579-0738 Screening compound: N-(4-fluorophenyl)-2-{1-[(4-fluorophenyl)methyl]-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl}acetamide

S579-0738 Screening compound: N-(4-fluorophenyl)-2-{1-[(4-fluorophenyl)methyl]-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl}acetamide
S579-0738 Screening compound: N-(4-fluorophenyl)-2-{1-[(4-fluorophenyl)methyl]-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0738
N-(4-fluorophenyl)-2-{1-[(4-fluorophenyl)methyl]-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl}acetamide

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

S579-0738

Molecular Formula

C23H22F2N2O2 (C23 H22 F2 N2 O2)

Compound Name

N-(4-fluorophenyl)-2-{1-[(4-fluorophenyl)methyl]-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{1-[(4-fluorophenyl)methyl]-2-oxo-245677a-hexahydro-1H-indol-3-yl}acetamide

SMILES

O=C(CC1=C(CCCC2)C2N(Cc(cc2)ccc2F)C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C23H22F2N2O2/c24-16-7-5-15(6-8-16)14-27-21-4-2-1-3-19(21)20(23(27)29)13-22(28)26-18-11-9-17(25)10-12-18/h5-12,21H,1-4,13-14H2,(H,26,28)/t21-/m1/s1

InChI Key

HRFOBQFLHWZLMB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29015001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-4.06

Polar Surface Area

39.130

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

S579-0738 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S579-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0738?
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What is the minimum amount of S579-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0738
  • 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 S579-0738 available by request