SA65-0912 Screening compound: 3-{2-[1-(3,5-difluorobenzyl)-4-piperidyl]ethyl}-5-methyl-1,2,4-oxadiazole

SA65-0912 Screening compound: 3-{2-[1-(3,5-difluorobenzyl)-4-piperidyl]ethyl}-5-methyl-1,2,4-oxadiazole
SA65-0912 Screening compound: 3-{2-[1-(3,5-difluorobenzyl)-4-piperidyl]ethyl}-5-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA65-0912
3-{2-[1-(3,5-difluorobenzyl)-4-piperidyl]ethyl}-5-methyl-1,2,4-oxadiazole

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

SA65-0912

Molecular Formula

C17H21F2N3O (C17 H21 F2 N3 O)

Compound Name

3-{2-[1-(3,5-difluorobenzyl)-4-piperidyl]ethyl}-5-methyl-1,2,4-oxadiazole

IUPAC name

1-[(35-difluorophenyl)methyl]-4-[2-(5-methyl-124-oxadiazol-3-yl)ethyl]piperidine

SMILES

Cc1nc(CCC2CCN(Cc3cc(F)cc(F)c3)CC2)no1

InChI

InChI=1S/C17H21F2N3O/c1-12-20-17(21-23-12)3-2-13-4-6-22(7-5-13)11-14-8-15(18)10-16(19)9-14/h8-10,13H,2-7,11H2,1H3

InChI Key

PLTSZGMUALPUDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31999276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.86

Polar Surface Area

35.867

Acid Dissociation Constant (pKa)

26.19

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

SA65-0912 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA65-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA65-0912?
Check Price and Availability of SA65-0912, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA65-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA65-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA65-0912
  • 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 SA65-0912 available by request