SA50-0097 Screening compound: 2-(azepan-1-yl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]ethan-1-one

SA50-0097 Screening compound: 2-(azepan-1-yl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]ethan-1-one
SA50-0097 Screening compound: 2-(azepan-1-yl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA50-0097
2-(azepan-1-yl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]ethan-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

SA50-0097

Molecular Formula

C17H24N6O2 (C17 H24 N6 O2)

Compound Name

2-(azepan-1-yl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]ethan-1-one

IUPAC name

2-(azepan-1-yl)-1-[1-methyl-3-(3-methyl-124-oxadiazol-5-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]ethan-1-one

SMILES

Cc1noc(-c2nn(C)c(C3)c2CN3C(CN2CCCCCC2)=O)n1

InChI

InChI=1S/C17H24N6O2/c1-12-18-17(25-20-12)16-13-9-23(10-14(13)21(2)19-16)15(24)11-22-7-5-3-4-6-8-22/h3-11H2,1-2H3

InChI Key

GUBPQJNDXDWBAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32237917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.525

Distribution Coefficient, logD

0.447

Water Solubility, LogSw

-0.20

Polar Surface Area

66.964

Acid Dissociation Constant (pKa)

21.35

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

SA50-0097 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA50-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA50-0097?
Check Price and Availability of SA50-0097, 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 SA50-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA50-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA50-0097
  • 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 SA50-0097 available by request