SA69-0812 Screening compound: 4-{3-[1-(2,4-difluorobenzenesulfonyl)-3-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

SA69-0812 Screening compound: 4-{3-[1-(2,4-difluorobenzenesulfonyl)-3-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine
SA69-0812 Screening compound: 4-{3-[1-(2,4-difluorobenzenesulfonyl)-3-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA69-0812
4-{3-[1-(2,4-difluorobenzenesulfonyl)-3-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-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

SA69-0812

Molecular Formula

C19H18F2N4O3S (C19 H18 F2 N4 O3 S)

Compound Name

4-{3-[1-(2,4-difluorobenzenesulfonyl)-3-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

4-{3-[1-(24-difluorobenzenesulfonyl)-3-methylpiperidin-3-yl]-124-oxadiazol-5-yl}pyridine

SMILES

CC(CCC1)(CN1S(c(ccc(F)c1)c1F)(=O)=O)c1noc(-c2ccncc2)n1

InChI

InChI=1S/C19H18F2N4O3S/c1-19(18-23-17(28-24-18)13-5-8-22-9-6-13)7-2-10-25(12-19)29(26,27)16-4-3-14(20)11-15(16)21/h3-6,8-9,11H,2,7,10,12H2,1H3/t19-/m0/s1

InChI Key

SDOIAYYGWWOESV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31998901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.14

Polar Surface Area

72.717

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

SA69-0812 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA69-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA69-0812?
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What is the minimum amount of SA69-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA69-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA69-0812
  • 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 SA69-0812 available by request