SA92-0534 Screening compound: 3-(5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

SA92-0534 Screening compound: 3-(5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine
SA92-0534 Screening compound: 3-(5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0534
3-(5-{1-[(2,3-dihydro-1,4-benzodioxin-6-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

SA92-0534

Molecular Formula

C21H21FN4O3 (C21 H21 FN4 O3)

Compound Name

3-(5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-fluoropiperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

IUPAC name

3-(5-{1-[(23-dihydro-14-benzodioxin-6-yl)methyl]-3-fluoropiperidin-3-yl}-124-oxadiazol-3-yl)pyridine

SMILES

FC1(CN(Cc(cc2)cc3c2OCCO3)CCC1)c1nc(-c2cnccc2)no1

InChI

InChI=1S/C21H21FN4O3/c22-21(20-24-19(25-29-20)16-3-1-7-23-12-16)6-2-8-26(14-21)13-15-4-5-17-18(11-15)28-10-9-27-17/h1,3-5,7,11-12H,2,6,8-10,13-14H2/t21-/m0/s1

InChI Key

BHHJYDJOLSVVSL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32242212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.296

Water Solubility, LogSw

-1.82

Polar Surface Area

60.651

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SA92-0534 in Drug Discovery

Included in Screening Libraries

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

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 SA92-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0534?
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What is the minimum amount of SA92-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0534
  • 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 SA92-0534 available by request