S497-1239 Screening compound: 3-(1H-indol-3-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

S497-1239 Screening compound: 3-(1H-indol-3-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one
S497-1239 Screening compound: 3-(1H-indol-3-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1239
3-(1H-indol-3-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

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

S497-1239

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

3-(1H-indol-3-yl)-1-(3-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

IUPAC name

3-(1H-indol-3-yl)-1-(3-{2-[3-(2-methoxyethyl)-124-oxadiazol-5-yl]phenoxy}azetidin-1-yl)propan-1-one

SMILES

COCCc1noc(-c(cccc2)c2OC(C2)CN2C(CCc2c[nH]c3c2cccc3)=O)n1

InChI

InChI=1S/C25H26N4O4/c1-31-13-12-23-27-25(33-28-23)20-7-3-5-9-22(20)32-18-15-29(16-18)24(30)11-10-17-14-26-21-8-4-2-6-19(17)21/h2-9,14,18,26H,10-13,15-16H2,1H3

InChI Key

SIGXSKVMCLRVAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.40

Polar Surface Area

73.787

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

S497-1239 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCL1 Targeted Library (12200 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

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S497-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1239?
Check Price and Availability of S497-1239, 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 S497-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1239
  • 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 S497-1239 available by request