SA52-1943 Screening compound: 1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-4-yl)ethan-1-one

SA52-1943 Screening compound: 1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-4-yl)ethan-1-one
SA52-1943 Screening compound: 1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-1943
1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-4-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

SA52-1943

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-4-yl)ethan-1-one

IUPAC name

1-[4-benzoyl-3-(3-methyl-124-oxadiazol-5-yl)-14-diazepan-1-yl]-2-(pyridin-4-yl)ethan-1-one

SMILES

Cc1noc(C(CN(CCC2)C(Cc3ccncc3)=O)N2C(c2ccccc2)=O)n1

InChI

InChI=1S/C22H23N5O3/c1-16-24-21(30-25-16)19-15-26(20(28)14-17-8-10-23-11-9-17)12-5-13-27(19)22(29)18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-15H2,1H3/t19-/m0/s1

InChI Key

HKJHNTLMOQKZDC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32238729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.397

Distribution Coefficient, logD

1.385

Water Solubility, LogSw

-1.27

Polar Surface Area

73.492

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

SA52-1943 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA52-1943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-1943?
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What is the minimum amount of SA52-1943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-1943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-1943
  • 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 SA52-1943 available by request