S497-1086 Screening compound: 3-cyclopropyl-5-(2-{[1-(3-methylthiophene-2-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole

S497-1086 Screening compound: 3-cyclopropyl-5-(2-{[1-(3-methylthiophene-2-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole
S497-1086 Screening compound: 3-cyclopropyl-5-(2-{[1-(3-methylthiophene-2-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1086
3-cyclopropyl-5-(2-{[1-(3-methylthiophene-2-carbonyl)azetidin-3-yl]oxy}phenyl)-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

S497-1086

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

3-cyclopropyl-5-(2-{[1-(3-methylthiophene-2-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazole

IUPAC name

3-cyclopropyl-5-(2-{[1-(3-methylthiophene-2-carbonyl)azetidin-3-yl]oxy}phenyl)-124-oxadiazole

SMILES

Cc1c(C(N(C2)CC2Oc(cccc2)c2-c2nc(C3CC3)no2)=O)scc1

InChI

InChI=1S/C20H19N3O3S/c1-12-8-9-27-17(12)20(24)23-10-14(11-23)25-16-5-3-2-4-15(16)19-21-18(22-26-19)13-6-7-13/h2-5,8-9,13-14H,6-7,10-11H2,1H3

InChI Key

HNETVPBOVIQEIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

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

3.972

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-4.23

Polar Surface Area

56.380

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S497-1086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S497-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1086?
Check Price and Availability of S497-1086, 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 S497-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1086
  • 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 S497-1086 available by request