S929-4431 Screening compound: 2-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole

S929-4431 Screening compound: 2-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole
S929-4431 Screening compound: 2-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S929-4431
2-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-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

S929-4431

Molecular Formula

C17H22FN3O3S (C17 H22 FN3 O3 S)

Compound Name

2-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole

IUPAC name

2-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-134-oxadiazole

SMILES

CC(C)Cc1nnc(CC(CC2)CN2S(c(cccc2)c2F)(=O)=O)o1

InChI

InChI=1S/C17H22FN3O3S/c1-12(2)9-16-19-20-17(24-16)10-13-7-8-21(11-13)25(22,23)15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1

InChI Key

GOIYOIKDGRZLDX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31999718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.35

Polar Surface Area

62.096

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S929-4431 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

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 S929-4431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S929-4431?
Check Price and Availability of S929-4431, 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 S929-4431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S929-4431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S929-4431
  • 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 S929-4431 available by request