SA68-1086 Screening compound: 1-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(propan-2-yl)urea

SA68-1086 Screening compound: 1-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(propan-2-yl)urea
SA68-1086 Screening compound: 1-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-1086
1-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(propan-2-yl)urea

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

SA68-1086

Molecular Formula

C17H34N4O4S (C17 H34 N4 O4 S)

Compound Name

1-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(propan-2-yl)urea

IUPAC name

1-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(propan-2-yl)urea

SMILES

CC(C)NC(NCCN(C(CC1)CCN1S(C)(=O)=O)C1CCOCC1)=O

InChI

InChI=1S/C17H34N4O4S/c1-14(2)19-17(22)18-8-11-21(16-6-12-25-13-7-16)15-4-9-20(10-5-15)26(3,23)24/h14-16H,4-13H2,1-3H3,(H2,18,19,22)

InChI Key

JWPCDZOHYAIQQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.748

Distribution Coefficient, logD

-2.686

Water Solubility, LogSw

-1.71

Polar Surface Area

75.536

Acid Dissociation Constant (pKa)

15.54

Base Dissociation Constant (pKb)

10.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.12

SA68-1086 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA68-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-1086?
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What is the minimum amount of SA68-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-1086
  • 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 SA68-1086 available by request