SA52-1181 Screening compound: 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

SA52-1181 Screening compound: 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SA52-1181 Screening compound: 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-1181
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

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

SA52-1181

Molecular Formula

C23H30N6O3 (C23 H30 N6 O3)

Compound Name

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

IUPAC name

1-[3-(3-methyl-124-oxadiazol-5-yl)-4-(2-methylpropyl)-14-diazepan-1-yl]-3-(3-phenyl-124-oxadiazol-5-yl)propan-1-one

SMILES

CC(C)CN(CCCN(C1)C(CCc2nc(-c3ccccc3)no2)=O)C1c1nc(C)no1

InChI

InChI=1S/C23H30N6O3/c1-16(2)14-28-12-7-13-29(15-19(28)23-24-17(3)26-32-23)21(30)11-10-20-25-22(27-31-20)18-8-5-4-6-9-18/h4-6,8-9,16,19H,7,10-15H2,1-3H3/t19-/m0/s1

InChI Key

UFJLLMHAPNXCFK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32237996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.51

Polar Surface Area

82.929

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

SA52-1181 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 SA52-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-1181?
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What is the minimum amount of SA52-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-1181
  • 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 SA52-1181 available by request