SA50-0178 Screening compound: 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]-3-(2-methoxyphenyl)propan-1-one

SA50-0178 Screening compound: 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]-3-(2-methoxyphenyl)propan-1-one
SA50-0178 Screening compound: 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]-3-(2-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA50-0178
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]-3-(2-methoxyphenyl)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

SA50-0178

Molecular Formula

C20H23N5O3 (C20 H23 N5 O3)

Compound Name

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

IUPAC name

1-[3-(3-ethyl-124-oxadiazol-5-yl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]-3-(2-methoxyphenyl)propan-1-one

SMILES

CCc1noc(-c2nn(C)c(C3)c2CN3C(CCc(cccc2)c2OC)=O)n1

InChI

InChI=1S/C20H23N5O3/c1-4-17-21-20(28-23-17)19-14-11-25(12-15(14)24(2)22-19)18(26)10-9-13-7-5-6-8-16(13)27-3/h5-8H,4,9-12H2,1-3H3

InChI Key

NMSNWKLMGPEBRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32238252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-2.32

Polar Surface Area

71.637

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

SA50-0178 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 SA50-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA50-0178?
Check Price and Availability of SA50-0178, 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 SA50-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA50-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA50-0178
  • 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 SA50-0178 available by request