SA53-0968 Screening compound: [2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-propyl-1,4-diazepan-1-yl](4-pyridyl)methanone

SA53-0968 Screening compound: [2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-propyl-1,4-diazepan-1-yl](4-pyridyl)methanone
SA53-0968 Screening compound: [2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-propyl-1,4-diazepan-1-yl](4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA53-0968
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-propyl-1,4-diazepan-1-yl](4-pyridyl)methanone

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

SA53-0968

Molecular Formula

C17H24N6O (C17 H24 N6 O)

Compound Name

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

IUPAC name

2-(3-methyl-1H-124-triazol-5-yl)-4-propyl-1-(pyridine-4-carbonyl)-14-diazepane

SMILES

CCCN(CCC1)CC(c2nc(C)n[nH]2)N1C(c1ccncc1)=O

InChI

InChI=1S/C17H24N6O/c1-3-9-22-10-4-11-23(17(24)14-5-7-18-8-6-14)15(12-22)16-19-13(2)20-21-16/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,20,21)/t15-/m0/s1

InChI Key

IICCFBJFPDZNAH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32239001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.665

Distribution Coefficient, logD

0.058

Water Solubility, LogSw

-1.08

Polar Surface Area

63.461

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

SA53-0968 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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 SA53-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA53-0968?
Check Price and Availability of SA53-0968, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA53-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA53-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA53-0968
  • 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 SA53-0968 available by request