SA68-0958 Screening compound: N-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-fluorobenzene-1-sulfonamide

SA68-0958 Screening compound: N-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-fluorobenzene-1-sulfonamide
SA68-0958 Screening compound: N-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0958
N-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-fluorobenzene-1-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

SA68-0958

Molecular Formula

C20H30FN3O4S (C20 H30 FN3 O4 S)

Compound Name

N-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-fluorobenzene-1-sulfonamide

IUPAC name

N-{2-[(1-acetylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-fluorobenzene-1-sulfonamide

SMILES

CC(N(CC1)CCC1N(CCNS(c(cc1)ccc1F)(=O)=O)C1CCOCC1)=O

InChI

InChI=1S/C20H30FN3O4S/c1-16(25)23-11-6-18(7-12-23)24(19-8-14-28-15-9-19)13-10-22-29(26,27)20-4-2-17(21)3-5-20/h2-5,18-19,22H,6-15H2,1H3

InChI Key

CYAMRBWILNBIPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

0.464

Water Solubility, LogSw

-2.73

Polar Surface Area

69.014

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

SA68-0958 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA68-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0958?
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What is the minimum amount of SA68-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0958
  • 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 SA68-0958 available by request