S497-1175 Screening compound: 2-(azepan-1-yl)-1-{3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one

S497-1175 Screening compound: 2-(azepan-1-yl)-1-{3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one
S497-1175 Screening compound: 2-(azepan-1-yl)-1-{3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1175
2-(azepan-1-yl)-1-{3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-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

S497-1175

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

2-(azepan-1-yl)-1-{3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one

IUPAC name

2-(azepan-1-yl)-1-{3-[2-(3-cyclopropyl-124-oxadiazol-5-yl)phenoxy]azetidin-1-yl}ethan-1-one

SMILES

O=C(CN1CCCCCC1)N(C1)CC1Oc(cccc1)c1-c1nc(C2CC2)no1

InChI

InChI=1S/C22H28N4O3/c27-20(15-25-11-5-1-2-6-12-25)26-13-17(14-26)28-19-8-4-3-7-18(19)22-23-21(24-29-22)16-9-10-16/h3-4,7-8,16-17H,1-2,5-6,9-15H2

InChI Key

HBWIGGBEDMTIQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

1.668

Water Solubility, LogSw

-3.35

Polar Surface Area

59.170

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

S497-1175 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S497-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1175?
Check Price and Availability of S497-1175, 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 S497-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1175
  • 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 S497-1175 available by request