SA52-0960 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(pyridine-3-carbonyl)-1,4-diazepane

SA52-0960 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(pyridine-3-carbonyl)-1,4-diazepane
SA52-0960 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(pyridine-3-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-0960
2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-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

SA52-0960

Molecular Formula

C19H22N6O2S (C19 H22 N6 O2 S)

Compound Name

2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(pyridine-3-carbonyl)-1,4-diazepane

IUPAC name

2-(3-methyl-124-oxadiazol-5-yl)-4-[(4-methyl-13-thiazol-5-yl)methyl]-1-(pyridine-3-carbonyl)-14-diazepane

SMILES

Cc1c(CN(CCC2)CC(c3nc(C)no3)N2C(c2cnccc2)=O)scn1

InChI

InChI=1S/C19H22N6O2S/c1-13-17(28-12-21-13)11-24-7-4-8-25(19(26)15-5-3-6-20-9-15)16(10-24)18-22-14(2)23-27-18/h3,5-6,9,12,16H,4,7-8,10-11H2,1-2H3/t16-/m0/s1

InChI Key

OZZRYLSQVLZNSY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31998363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.063

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-1.54

Polar Surface Area

71.399

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SA52-0960 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA52-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-0960?
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What is the minimum amount of SA52-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-0960
  • 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 SA52-0960 available by request