SA92-0581 Screening compound: 3-(5-{1-[(5-bromofuran-2-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

SA92-0581 Screening compound: 3-(5-{1-[(5-bromofuran-2-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine
SA92-0581 Screening compound: 3-(5-{1-[(5-bromofuran-2-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0581
3-(5-{1-[(5-bromofuran-2-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

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

SA92-0581

Molecular Formula

C17H16BrFN4O2 (C17 H16 BrFN4 O2)

Compound Name

3-(5-{1-[(5-bromofuran-2-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

IUPAC name

3-(5-{1-[(5-bromofuran-2-yl)methyl]-3-fluoropiperidin-3-yl}-124-oxadiazol-3-yl)pyridine

SMILES

FC1(CN(Cc(o2)ccc2Br)CCC1)c1nc(-c2cnccc2)no1

InChI

InChI=1S/C17H16BrFN4O2/c18-14-5-4-13(24-14)10-23-8-2-6-17(19,11-23)16-21-15(22-25-16)12-3-1-7-20-9-12/h1,3-5,7,9H,2,6,8,10-11H2/t17-/m0/s1

InChI Key

UGFIFMWTPNLPFH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32242848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.320

Water Solubility, LogSw

-2.78

Polar Surface Area

52.924

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

SA92-0581 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA92-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0581?
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What is the minimum amount of SA92-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0581
  • 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 SA92-0581 available by request