SA71-0853 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

SA71-0853 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
SA71-0853 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-(cyclopropylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0853
1-(5-chloro-2-methoxybenzoyl)-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

SA71-0853

Molecular Formula

C20H24ClN3O3 (C20 H24 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(C(CC2CC2)(CCC2)CN2C(c(cc(cc2)Cl)c2OC)=O)no1

InChI

InChI=1S/C20H24ClN3O3/c1-13-22-19(23-27-13)20(11-14-4-5-14)8-3-9-24(12-20)18(25)16-10-15(21)6-7-17(16)26-2/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3/t20-/m1/s1

InChI Key

JRQHMLUGLSEYQU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32240857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.88

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

3.643

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-4.03

Polar Surface Area

55.607

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SA71-0853 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 SA71-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0853?
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What is the minimum amount of SA71-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0853
  • 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 SA71-0853 available by request