S049-0919 Screening compound: 3-(4-{[1-(4-fluorobenzoyl)pyrrolidin-3-yl]oxy}phenyl)-5-(propan-2-yl)-1,2,4-oxadiazole

S049-0919 Screening compound: 3-(4-{[1-(4-fluorobenzoyl)pyrrolidin-3-yl]oxy}phenyl)-5-(propan-2-yl)-1,2,4-oxadiazole
S049-0919 Screening compound: 3-(4-{[1-(4-fluorobenzoyl)pyrrolidin-3-yl]oxy}phenyl)-5-(propan-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S049-0919
3-(4-{[1-(4-fluorobenzoyl)pyrrolidin-3-yl]oxy}phenyl)-5-(propan-2-yl)-1,2,4-oxadiazole

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

S049-0919

Molecular Formula

C22H22FN3O3 (C22 H22 FN3 O3)

Compound Name

3-(4-{[1-(4-fluorobenzoyl)pyrrolidin-3-yl]oxy}phenyl)-5-(propan-2-yl)-1,2,4-oxadiazole

IUPAC name

3-(4-{[1-(4-fluorobenzoyl)pyrrolidin-3-yl]oxy}phenyl)-5-(propan-2-yl)-124-oxadiazole

SMILES

CC(C)c1nc(-c(cc2)ccc2OC(CC2)CN2C(c(cc2)ccc2F)=O)no1

InChI

InChI=1S/C22H22FN3O3/c1-14(2)21-24-20(25-29-21)15-5-9-18(10-6-15)28-19-11-12-26(13-19)22(27)16-3-7-17(23)8-4-16/h3-10,14,19H,11-13H2,1-2H3/t19-/m1/s1

InChI Key

CCUGEGCVUJJLDZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31988279

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.34

Polar Surface Area

55.125

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

S049-0919 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S049-0919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S049-0919?
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What is the minimum amount of S049-0919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S049-0919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S049-0919
  • 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 S049-0919 available by request