S826-5208 Screening compound: [1-(2,5-difluorobenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

S826-5208 Screening compound: [1-(2,5-difluorobenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol
S826-5208 Screening compound: [1-(2,5-difluorobenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-5208
[1-(2,5-difluorobenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

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

S826-5208

Molecular Formula

C16H17F2N3O4 (C16 H17 F2 N3 O4)

Compound Name

[1-(2,5-difluorobenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-1-(25-difluorobenzoyl)-4-[3-(methoxymethyl)-124-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

SMILES

COCc1noc([C@@H](C2)[C@@H](CO)CN2C(c(cc(cc2)F)c2F)=O)n1

InChI

InChI=1S/C16H17F2N3O4/c1-24-8-14-19-15(25-20-14)12-6-21(5-9(12)7-22)16(23)11-4-10(17)2-3-13(11)18/h2-4,9,12,22H,5-8H2,1H3/t9-,12+/m0/s1

InChI Key

SUNFVMKCMQGUQM-JOYOIKCWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.269

Distribution Coefficient, logD

1.269

Water Solubility, LogSw

-2.31

Polar Surface Area

75.326

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

S826-5208 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S826-5208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-5208?
Check Price and Availability of S826-5208, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S826-5208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-5208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-5208
  • 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 S826-5208 available by request