SA58-1295 Screening compound: 2-(4-fluorophenoxy)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}ethan-1-one

SA58-1295 Screening compound: 2-(4-fluorophenoxy)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}ethan-1-one
SA58-1295 Screening compound: 2-(4-fluorophenoxy)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-1295
2-(4-fluorophenoxy)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}ethan-1-one

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

SA58-1295

Molecular Formula

C22H22FN3O3 (C22 H22 FN3 O3)

Compound Name

2-(4-fluorophenoxy)-1-{2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}ethan-1-one

IUPAC name

2-(4-fluorophenoxy)-1-{2-[2-(5-phenyl-124-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl}ethan-1-one

SMILES

O=C(COc(cc1)ccc1F)N1C(CCc2noc(-c3ccccc3)n2)CCC1

InChI

InChI=1S/C22H22FN3O3/c23-17-8-11-19(12-9-17)28-15-21(27)26-14-4-7-18(26)10-13-20-24-22(29-25-20)16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2/t18-/m1/s1

InChI Key

UHDMVKLGKGIGAH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32000531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-3.92

Polar Surface Area

56.267

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

SA58-1295 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA58-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-1295?
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What is the minimum amount of SA58-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-1295
  • 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 SA58-1295 available by request