SA92-0706 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine

SA92-0706 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine
SA92-0706 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0706
1-(3-chloro-4-fluorobenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine

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

SA92-0706

Molecular Formula

C17H16ClF2N3O2 (C17 H16 ClF2 N3 O2)

Compound Name

1-(3-chloro-4-fluorobenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine

IUPAC name

1-(3-chloro-4-fluorobenzoyl)-3-(3-cyclopropyl-124-oxadiazol-5-yl)-3-fluoropiperidine

SMILES

O=C(c(cc1)cc(Cl)c1F)N(CCC1)CC1(c1nc(C2CC2)no1)F

InChI

InChI=1S/C17H16ClF2N3O2/c18-12-8-11(4-5-13(12)19)15(24)23-7-1-6-17(20,9-23)16-21-14(22-25-16)10-2-3-10/h4-5,8,10H,1-3,6-7,9H2/t17-/m0/s1

InChI Key

PZQGTRJCUUMXRN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32242346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.73

Polar Surface Area

48.749

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

SA92-0706 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA92-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0706?
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What is the minimum amount of SA92-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0706
  • 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 SA92-0706 available by request