F325-0579 Screening compound: N-benzyl-N-ethyl-1-[4-oxo-4-(piperidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide

F325-0579 Screening compound: N-benzyl-N-ethyl-1-[4-oxo-4-(piperidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide
F325-0579 Screening compound: N-benzyl-N-ethyl-1-[4-oxo-4-(piperidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F325-0579
N-benzyl-N-ethyl-1-[4-oxo-4-(piperidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide

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

F325-0579

Molecular Formula

C26H33N3O4S (C26 H33 N3 O4 S)

Compound Name

N-benzyl-N-ethyl-1-[4-oxo-4-(piperidin-1-yl)butanoyl]-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-benzyl-N-ethyl-1-[4-oxo-4-(piperidin-1-yl)butanoyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCN(Cc1ccccc1)S(c(cc1)cc(CC2)c1N2C(CCC(N1CCCCC1)=O)=O)(=O)=O

InChI

InChI=1S/C26H33N3O4S/c1-2-28(20-21-9-5-3-6-10-21)34(32,33)23-11-12-24-22(19-23)15-18-29(24)26(31)14-13-25(30)27-16-7-4-8-17-27/h3,5-6,9-12,19H,2,4,7-8,13-18,20H2,1H3

InChI Key

WGKYZWGDRCUZAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27116626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.74

Polar Surface Area

62.882

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

F325-0579 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F325-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F325-0579?
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What is the minimum amount of F325-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F325-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F325-0579
  • 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 F325-0579 available by request