SA92-0049 Screening compound: 3-fluoro-1-(3-fluorobenzenesulfonyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine

SA92-0049 Screening compound: 3-fluoro-1-(3-fluorobenzenesulfonyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
SA92-0049 Screening compound: 3-fluoro-1-(3-fluorobenzenesulfonyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0049
3-fluoro-1-(3-fluorobenzenesulfonyl)-3-(3-phenyl-1,2,4-oxadiazol-5-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

SA92-0049

Molecular Formula

C19H17F2N3O3S (C19 H17 F2 N3 O3 S)

Compound Name

3-fluoro-1-(3-fluorobenzenesulfonyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine

IUPAC name

3-fluoro-1-(3-fluorobenzenesulfonyl)-3-(3-phenyl-124-oxadiazol-5-yl)piperidine

SMILES

O=S(c1cc(F)ccc1)(N(CCC1)CC1(c1nc(-c2ccccc2)no1)F)=O

InChI

InChI=1S/C19H17F2N3O3S/c20-15-8-4-9-16(12-15)28(25,26)24-11-5-10-19(21,13-24)18-22-17(23-27-18)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2/t19-/m0/s1

InChI Key

AAJJMGHTTRCNEZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32241939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.17

Polar Surface Area

63.289

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

SA92-0049 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA92-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0049?
Check Price and Availability of SA92-0049, 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 SA92-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0049
  • 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 SA92-0049 available by request