SA50-0676 Screening compound: 3-(2-methoxyethyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole

SA50-0676 Screening compound: 3-(2-methoxyethyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole
SA50-0676 Screening compound: 3-(2-methoxyethyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA50-0676
3-(2-methoxyethyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole

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

SA50-0676

Molecular Formula

C16H17N5O3S (C16 H17 N5 O3 S)

Compound Name

3-(2-methoxyethyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-1,2,4-oxadiazole

IUPAC name

3-(2-methoxyethyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-3-yl]-124-oxadiazole

SMILES

Cn(c(C1)c2CN1C(c1cccs1)=O)nc2-c1nc(CCOC)no1

InChI

InChI=1S/C16H17N5O3S/c1-20-11-9-21(16(22)12-4-3-7-25-12)8-10(11)14(18-20)15-17-13(19-24-15)5-6-23-2/h3-4,7H,5-6,8-9H2,1-2H3

InChI Key

GUCLRVCZHADJEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.14

Polar Surface Area

73.894

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

SA50-0676 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with SA50-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA50-0676?
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What is the minimum amount of SA50-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA50-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA50-0676
  • 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 SA50-0676 available by request