SA67-1169 Screening compound: 5-(4-fluorophenyl)-3-[2-(pyrrolidin-3-yl)ethyl]-1,2,4-oxadiazole

SA67-1169 Screening compound: 5-(4-fluorophenyl)-3-[2-(pyrrolidin-3-yl)ethyl]-1,2,4-oxadiazole
SA67-1169 Screening compound: 5-(4-fluorophenyl)-3-[2-(pyrrolidin-3-yl)ethyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-1169
5-(4-fluorophenyl)-3-[2-(pyrrolidin-3-yl)ethyl]-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

SA67-1169

Molecular Formula

C14H16FN3O (C14 H16 FN3 O)

Compound Name

5-(4-fluorophenyl)-3-[2-(pyrrolidin-3-yl)ethyl]-1,2,4-oxadiazole

IUPAC name

5-(4-fluorophenyl)-3-[2-(pyrrolidin-3-yl)ethyl]-124-oxadiazole

SMILES

Fc(cc1)ccc1-c1nc(CCC2CNCC2)no1

InChI

InChI=1S/C14H16FN3O/c15-12-4-2-11(3-5-12)14-17-13(18-19-14)6-1-10-7-8-16-9-10/h2-5,10,16H,1,6-9H2/t10-/m0/s1

InChI Key

AYPUEEXELJZRIO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD32200560

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

261.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

-1.280

Water Solubility, LogSw

-2.88

Polar Surface Area

45.085

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

11.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SA67-1169 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA67-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-1169?
Check Price and Availability of SA67-1169, 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 SA67-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-1169
  • 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 SA67-1169 available by request