SA69-1506 Screening compound: 1-(2,5-difluorobenzoyl)-3-methyl-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine

SA69-1506 Screening compound: 1-(2,5-difluorobenzoyl)-3-methyl-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine
SA69-1506 Screening compound: 1-(2,5-difluorobenzoyl)-3-methyl-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA69-1506
1-(2,5-difluorobenzoyl)-3-methyl-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine

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

SA69-1506

Molecular Formula

C22H21F2N3O3 (C22 H21 F2 N3 O3)

Compound Name

1-(2,5-difluorobenzoyl)-3-methyl-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine

IUPAC name

1-(25-difluorobenzoyl)-3-methyl-3-[5-(phenoxymethyl)-124-oxadiazol-3-yl]piperidine

SMILES

CC(CCC1)(CN1C(c(cc(cc1)F)c1F)=O)c1noc(COc2ccccc2)n1

InChI

InChI=1S/C22H21F2N3O3/c1-22(21-25-19(30-26-21)13-29-16-6-3-2-4-7-16)10-5-11-27(14-22)20(28)17-12-15(23)8-9-18(17)24/h2-4,6-9,12H,5,10-11,13-14H2,1H3/t22-/m0/s1

InChI Key

SVPZAJYDYLVZQD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD32000052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.30

Polar Surface Area

55.391

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

SA69-1506 in Drug Discovery

Included in Screening Libraries

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 SA69-1506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA69-1506?
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What is the minimum amount of SA69-1506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA69-1506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA69-1506
  • 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 SA69-1506 available by request