S699-0261 Screening compound: N-(2-{5-[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylacetamide

S699-0261 Screening compound: N-(2-{5-[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylacetamide
S699-0261 Screening compound: N-(2-{5-[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-0261
N-(2-{5-[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylacetamide

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

S699-0261

Molecular Formula

C16H19FN4O4S (C16 H19 FN4 O4 S)

Compound Name

N-(2-{5-[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylacetamide

IUPAC name

N-(2-{5-[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]-124-oxadiazol-3-yl}ethyl)-N-methylacetamide

SMILES

CC(N(C)CCc1noc(C(C2)CN2S(c2cc(F)ccc2)(=O)=O)n1)=O

InChI

InChI=1S/C16H19FN4O4S/c1-11(22)20(2)7-6-15-18-16(25-19-15)12-9-21(10-12)26(23,24)14-5-3-4-13(17)8-14/h3-5,8,12H,6-7,9-10H2,1-2H3

InChI Key

OAMVCGRRCBISMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.406

Distribution Coefficient, logD

1.406

Water Solubility, LogSw

-2.41

Polar Surface Area

81.683

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

S699-0261 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S699-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-0261?
Check Price and Availability of S699-0261, 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 S699-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-0261
  • 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 S699-0261 available by request