SA71-0846 Screening compound: 1-(5-chloro-2-fluorobenzoyl)-3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

SA71-0846 Screening compound: 1-(5-chloro-2-fluorobenzoyl)-3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
SA71-0846 Screening compound: 1-(5-chloro-2-fluorobenzoyl)-3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0846
1-(5-chloro-2-fluorobenzoyl)-3-(cyclopropylmethyl)-3-(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

SA71-0846

Molecular Formula

C19H21ClFN3O2 (C19 H21 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(C(CC2CC2)(CCC2)CN2C(c(cc(cc2)Cl)c2F)=O)no1

InChI

InChI=1S/C19H21ClFN3O2/c1-12-22-18(23-26-12)19(10-13-3-4-13)7-2-8-24(11-19)17(25)15-9-14(20)5-6-16(15)21/h5-6,9,13H,2-4,7-8,10-11H2,1H3/t19-/m1/s1

InChI Key

PKPFTDCJVIWACH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32240854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.32

Polar Surface Area

47.977

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SA71-0846 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 SA71-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0846?
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What is the minimum amount of SA71-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0846
  • 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 SA71-0846 available by request