S741-0405 Screening compound: (3R,4S)-3-(2-methoxyethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-4-(4-pyridyl)azetan-2-one

S741-0405 Screening compound: (3R,4S)-3-(2-methoxyethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-4-(4-pyridyl)azetan-2-one
S741-0405 Screening compound: (3R,4S)-3-(2-methoxyethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-4-(4-pyridyl)azetan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S741-0405
(3R,4S)-3-(2-methoxyethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-4-(4-pyridyl)azetan-2-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

S741-0405

Molecular Formula

C20H27N5O5S (C20 H27 N5 O5 S)

Compound Name

(3R,4S)-3-(2-methoxyethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-4-(4-pyridyl)azetan-2-one

IUPAC name

(3R4S)-3-(2-methoxyethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-4-(pyridin-4-yl)azetidin-2-one

SMILES

Cn1cnc(S(N(CC2)CCC2N([C@@H]([C@@H]2OCCOC)c3ccncc3)C2=O)(=O)=O)c1

InChI

InChI=1S/C20H27N5O5S/c1-23-13-17(22-14-23)31(27,28)24-9-5-16(6-10-24)25-18(15-3-7-21-8-4-15)19(20(25)26)30-12-11-29-2/h3-4,7-8,13-14,16,18-19H,5-6,9-12H2,1-2H3/t18-,19+/m0/s1

InChI Key

OZQVVJMWLAHZHI-RBUKOAKNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

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

-0.655

Distribution Coefficient, logD

-0.657

Water Solubility, LogSw

-1.38

Polar Surface Area

83.994

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S741-0405 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S741-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S741-0405?
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What is the minimum amount of S741-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S741-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S741-0405
  • 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 S741-0405 available by request