SA52-1116 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane

SA52-1116 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane
SA52-1116 Screening compound: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-1116
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-4-(pyrazine-2-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

SA52-1116

Molecular Formula

C17H24N6O2 (C17 H24 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(CCCN(C1)C(c2nccnc2)=O)C1c1nc(C)no1

InChI

InChI=1S/C17H24N6O2/c1-12(2)10-22-7-4-8-23(17(24)14-9-18-5-6-19-14)11-15(22)16-20-13(3)21-25-16/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3/t15-/m0/s1

InChI Key

JKGVAVDGPDAWPI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32237724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.42

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

1.142

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-1.45

Polar Surface Area

70.679

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SA52-1116 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA52-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-1116?
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What is the minimum amount of SA52-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-1116
  • 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 SA52-1116 available by request