SA72-0651 Screening compound: 1-(5-chloro-2-fluorobenzoyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

SA72-0651 Screening compound: 1-(5-chloro-2-fluorobenzoyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
SA72-0651 Screening compound: 1-(5-chloro-2-fluorobenzoyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-0651
1-(5-chloro-2-fluorobenzoyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-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

SA72-0651

Molecular Formula

C18H21ClFN3O3 (C18 H21 ClFN3 O3)

Compound Name

1-(5-chloro-2-fluorobenzoyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

IUPAC name

1-(5-chloro-2-fluorobenzoyl)-4-(2-methoxyethyl)-4-(5-methyl-124-oxadiazol-3-yl)piperidine

SMILES

Cc1nc(C(CCOC)(CC2)CCN2C(c(cc(cc2)Cl)c2F)=O)no1

InChI

InChI=1S/C18H21ClFN3O3/c1-12-21-17(22-26-12)18(7-10-25-2)5-8-23(9-6-18)16(24)14-11-13(19)3-4-15(14)20/h3-4,11H,5-10H2,1-2H3

InChI Key

RJRSIWRMCIFASE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.50

Polar Surface Area

56.134

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SA72-0651 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA72-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-0651?
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What is the minimum amount of SA72-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-0651
  • 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 SA72-0651 available by request