SA50-0125 Screening compound: N-(3-chlorophenyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide

SA50-0125 Screening compound: N-(3-chlorophenyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
SA50-0125 Screening compound: N-(3-chlorophenyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA50-0125
N-(3-chlorophenyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide

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

SA50-0125

Molecular Formula

C17H17ClN6O2 (C17 H17 ClN6 O2)

Compound Name

N-(3-chlorophenyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide

IUPAC name

N-(3-chlorophenyl)-3-(3-ethyl-124-oxadiazol-5-yl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazole-5-carboxamide

SMILES

CCc1noc(-c2nn(C)c(C3)c2CN3C(Nc2cccc(Cl)c2)=O)n1

InChI

InChI=1S/C17H17ClN6O2/c1-3-14-20-16(26-22-14)15-12-8-24(9-13(12)23(2)21-15)17(25)19-11-6-4-5-10(18)7-11/h4-7H,3,8-9H2,1-2H3,(H,19,25)

InChI Key

UTGDISRLEGZYHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32237975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-3.44

Polar Surface Area

73.354

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

SA50-0125 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA50-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA50-0125?
Check Price and Availability of SA50-0125, 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 SA50-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA50-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA50-0125
  • 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 SA50-0125 available by request