S497-0044 Screening compound: 5-methyl-3-[2-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-1,2,4-oxadiazole

S497-0044 Screening compound: 5-methyl-3-[2-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-1,2,4-oxadiazole
S497-0044 Screening compound: 5-methyl-3-[2-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-0044
5-methyl-3-[2-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]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

S497-0044

Molecular Formula

C16H17N5O4S (C16 H17 N5 O4 S)

Compound Name

5-methyl-3-[2-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-1,2,4-oxadiazole

IUPAC name

5-methyl-3-[2-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-124-oxadiazole

SMILES

Cc1nc(-c(cccc2)c2OC(C2)CN2S(c2cn(C)cn2)(=O)=O)no1

InChI

InChI=1S/C16H17N5O4S/c1-11-18-16(19-25-11)13-5-3-4-6-14(13)24-12-7-21(8-12)26(22,23)15-9-20(2)10-17-15/h3-6,9-10,12H,7-8H2,1-2H3

InChI Key

AWDQHWJVUZATHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.045

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-2.24

Polar Surface Area

81.812

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

S497-0044 in Drug Discovery

Included in Screening Libraries

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

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 S497-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-0044?
Check Price and Availability of S497-0044, 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 S497-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-0044
  • 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 S497-0044 available by request