SA52-0232 Screening compound: 1-benzyl-4-(2,6-dimethoxypyridine-3-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

SA52-0232 Screening compound: 1-benzyl-4-(2,6-dimethoxypyridine-3-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane
SA52-0232 Screening compound: 1-benzyl-4-(2,6-dimethoxypyridine-3-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-0232
1-benzyl-4-(2,6-dimethoxypyridine-3-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-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

SA52-0232

Molecular Formula

C23H27N5O4 (C23 H27 N5 O4)

Compound Name

1-benzyl-4-(2,6-dimethoxypyridine-3-carbonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

IUPAC name

1-benzyl-4-(26-dimethoxypyridine-3-carbonyl)-2-(3-methyl-124-oxadiazol-5-yl)-14-diazepane

SMILES

Cc1noc(C(C2)N(Cc3ccccc3)CCCN2C(c(ccc(OC)n2)c2OC)=O)n1

InChI

InChI=1S/C23H27N5O4/c1-16-24-22(32-26-16)19-15-28(13-7-12-27(19)14-17-8-5-4-6-9-17)23(29)18-10-11-20(30-2)25-21(18)31-3/h4-6,8-11,19H,7,12-15H2,1-3H3/t19-/m0/s1

InChI Key

SLBXFAVBSTXQET-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32238040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.32

Polar Surface Area

76.203

Acid Dissociation Constant (pKa)

26.63

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SA52-0232 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 SA52-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-0232?
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What is the minimum amount of SA52-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-0232
  • 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 SA52-0232 available by request