S826-6969 Screening compound: 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(2-fluorophenyl)-1-ethanone

S826-6969 Screening compound: 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(2-fluorophenyl)-1-ethanone
S826-6969 Screening compound: 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(2-fluorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-6969
1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(2-fluorophenyl)-1-ethanone

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

S826-6969

Molecular Formula

C18H20FN3O3 (C18 H20 FN3 O3)

Compound Name

1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-2-(2-fluorophenyl)-1-ethanone

IUPAC name

1-[(3S4S)-3-(3-cyclopropyl-124-oxadiazol-5-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one

SMILES

OC[C@@H](CN(C1)C(Cc(cccc2)c2F)=O)[C@H]1c1nc(C2CC2)no1

InChI

InChI=1S/C18H20FN3O3/c19-15-4-2-1-3-12(15)7-16(24)22-8-13(10-23)14(9-22)18-20-17(21-25-18)11-5-6-11/h1-4,11,13-14,23H,5-10H2/t13-,14+/m0/s1

InChI Key

YFAVZDXOUGZLES-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-2.62

Polar Surface Area

65.636

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S826-6969 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 S826-6969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-6969?
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What is the minimum amount of S826-6969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-6969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-6969
  • 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 S826-6969 available by request