S497-0040 Screening compound: 3-[2-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOXY]-1-AZETANYL PROPYL SULFONE

S497-0040 Screening compound: 3-[2-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOXY]-1-AZETANYL PROPYL SULFONE
S497-0040 Screening compound: 3-[2-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOXY]-1-AZETANYL PROPYL SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-0040
3-[2-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOXY]-1-AZETANYL PROPYL SULFONE

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

S497-0040

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

3-[2-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOXY]-1-AZETANYL PROPYL SULFONE

IUPAC name

n/a

SMILES

CCCS(N(C1)CC1Oc(cccc1)c1-c1noc(C)n1)(=O)=O

InChI

InChI=1S/C15H19N3O4S/c1-3-8-23(19,20)18-9-12(10-18)21-14-7-5-4-6-13(14)15-16-11(2)22-17-15/h4-7,12H,3,8-10H2,1-2H3

InChI Key

TYFYJEZJWRLSKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.928

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.78

Polar Surface Area

69.567

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

S497-0040 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S497-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-0040?
Check Price and Availability of S497-0040, 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 S497-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-0040
  • 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 S497-0040 available by request