S497-1341 Screening compound: 3-(2-methoxyethyl)-5-[2-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-1,2,4-oxadiazole

S497-1341 Screening compound: 3-(2-methoxyethyl)-5-[2-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-1,2,4-oxadiazole
S497-1341 Screening compound: 3-(2-methoxyethyl)-5-[2-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1341
3-(2-methoxyethyl)-5-[2-({1-[(1,3,5-trimethyl-1H-pyrazol-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

S497-1341

Molecular Formula

C20H25N5O5S (C20 H25 N5 O5 S)

Compound Name

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

IUPAC name

3-(2-methoxyethyl)-5-[2-({1-[(135-trimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl}oxy)phenyl]-124-oxadiazole

SMILES

Cc(n(C)nc1C)c1S(N(C1)CC1Oc(cccc1)c1-c1nc(CCOC)no1)(=O)=O

InChI

InChI=1S/C20H25N5O5S/c1-13-19(14(2)24(3)22-13)31(26,27)25-11-15(12-25)29-17-8-6-5-7-16(17)20-21-18(23-30-20)9-10-28-4/h5-8,15H,9-12H2,1-4H3

InChI Key

HZJJWGMIRUKAKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31981118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.840

Distribution Coefficient, logD

0.840

Water Solubility, LogSw

-2.26

Polar Surface Area

94.345

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S497-1341 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S497-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1341?
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What is the minimum amount of S497-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1341
  • 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 S497-1341 available by request