SA52-1123 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(6-methylpyridine-3-carbonyl)-1,4-diazepane

SA52-1123 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(6-methylpyridine-3-carbonyl)-1,4-diazepane
SA52-1123 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(6-methylpyridine-3-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-1123
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(6-methylpyridine-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

SA52-1123

Molecular Formula

C19H27N5O2 (C19 H27 N5 O2)

Compound Name

2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(6-methylpyridine-3-carbonyl)-1,4-diazepane

IUPAC name

2-(3-methyl-124-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(6-methylpyridine-3-carbonyl)-14-diazepane

SMILES

CC(C)CN(CCCN(C1)C(c2cnc(C)cc2)=O)C1c1nc(C)no1

InChI

InChI=1S/C19H27N5O2/c1-13(2)11-23-8-5-9-24(12-17(23)18-21-15(4)22-26-18)19(25)16-7-6-14(3)20-10-16/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3/t17-/m0/s1

InChI Key

YJFWIGQOIABCMW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32237777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.22

Polar Surface Area

61.057

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SA52-1123 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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:
  • Nervous system
  • 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 SA52-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-1123?
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What is the minimum amount of SA52-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-1123
  • 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 SA52-1123 available by request