SA52-1978 Screening compound: 4-(2-fluorobenzenesulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane

SA52-1978 Screening compound: 4-(2-fluorobenzenesulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane
SA52-1978 Screening compound: 4-(2-fluorobenzenesulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-1978
4-(2-fluorobenzenesulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane

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

SA52-1978

Molecular Formula

C20H20FN5O4S (C20 H20 FN5 O4 S)

Compound Name

4-(2-fluorobenzenesulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane

IUPAC name

4-(2-fluorobenzenesulfonyl)-2-(3-methyl-124-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-14-diazepane

SMILES

Cc1noc(C(CN(CCC2)S(c(cccc3)c3F)(=O)=O)N2C(c2cnccc2)=O)n1

InChI

InChI=1S/C20H20FN5O4S/c1-14-23-19(30-24-14)17-13-25(31(28,29)18-8-3-2-7-16(18)21)10-5-11-26(17)20(27)15-6-4-9-22-12-15/h2-4,6-9,12,17H,5,10-11,13H2,1H3/t17-/m0/s1

InChI Key

AFVJEXBFCJBZLK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32238815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.260

Distribution Coefficient, logD

1.260

Water Solubility, LogSw

-1.56

Polar Surface Area

89.172

Acid Dissociation Constant (pKa)

26.38

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

SA52-1978 in Drug Discovery

Included in Screening Libraries

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 SA52-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-1978?
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What is the minimum amount of SA52-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-1978
  • 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 SA52-1978 available by request