SA53-0586 Screening compound: 2-methyl-1-[4-[(5-methyl-3-pyridyl)carbonyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-1-propanone

SA53-0586 Screening compound: 2-methyl-1-[4-[(5-methyl-3-pyridyl)carbonyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-1-propanone
SA53-0586 Screening compound: 2-methyl-1-[4-[(5-methyl-3-pyridyl)carbonyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA53-0586
2-methyl-1-[4-[(5-methyl-3-pyridyl)carbonyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-1-propanone

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

SA53-0586

Molecular Formula

C19H26N6O2 (C19 H26 N6 O2)

Compound Name

2-methyl-1-[4-[(5-methyl-3-pyridyl)carbonyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-1-propanone

IUPAC name

2-methyl-1-[2-(3-methyl-1H-124-triazol-5-yl)-4-(5-methylpyridine-3-carbonyl)-14-diazepan-1-yl]propan-1-one

SMILES

CC(C)C(N(CCCN(C1)C(c2cncc(C)c2)=O)C1c1nc(C)n[nH]1)=O

InChI

InChI=1S/C19H26N6O2/c1-12(2)18(26)25-7-5-6-24(11-16(25)17-21-14(4)22-23-17)19(27)15-8-13(3)9-20-10-15/h8-10,12,16H,5-7,11H2,1-4H3,(H,21,22,23)/t16-/m0/s1

InChI Key

LPWNSTYHKLCGLX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32238683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.758

Distribution Coefficient, logD

0.757

Water Solubility, LogSw

-1.56

Polar Surface Area

76.578

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SA53-0586 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA53-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA53-0586?
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What is the minimum amount of SA53-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA53-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA53-0586
  • 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 SA53-0586 available by request