SA92-0713 Screening compound: 1-(4-chloro-2-methoxybenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine

SA92-0713 Screening compound: 1-(4-chloro-2-methoxybenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine
SA92-0713 Screening compound: 1-(4-chloro-2-methoxybenzoyl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0713
1-(4-chloro-2-methoxybenzoyl)-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

SA92-0713

Molecular Formula

C18H19ClFN3O3 (C18 H19 ClFN3 O3)

Compound Name

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

IUPAC name

1-(4-chloro-2-methoxybenzoyl)-3-(3-cyclopropyl-124-oxadiazol-5-yl)-3-fluoropiperidine

SMILES

COc(cc(cc1)Cl)c1C(N(CCC1)CC1(c1nc(C2CC2)no1)F)=O

InChI

InChI=1S/C18H19ClFN3O3/c1-25-14-9-12(19)5-6-13(14)16(24)23-8-2-7-18(20,10-23)17-21-15(22-26-17)11-3-4-11/h5-6,9,11H,2-4,7-8,10H2,1H3/t18-/m0/s1

InChI Key

BTIUQXPYCUWZHT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32242473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.34

Polar Surface Area

56.380

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA92-0713 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SA92-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0713?
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What is the minimum amount of SA92-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0713
  • 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 SA92-0713 available by request