SA72-1130 Screening compound: 3-{3-[4-(2-methoxyethyl)-1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

SA72-1130 Screening compound: 3-{3-[4-(2-methoxyethyl)-1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine
SA72-1130 Screening compound: 3-{3-[4-(2-methoxyethyl)-1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-1130
3-{3-[4-(2-methoxyethyl)-1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

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

SA72-1130

Molecular Formula

C21H24N4O3S (C21 H24 N4 O3 S)

Compound Name

3-{3-[4-(2-methoxyethyl)-1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

3-{3-[4-(2-methoxyethyl)-1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-124-oxadiazol-5-yl}pyridine

SMILES

Cc1ccc(C(N(CC2)CCC2(CCOC)c2noc(-c3cnccc3)n2)=O)s1

InChI

InChI=1S/C21H24N4O3S/c1-15-5-6-17(29-15)19(26)25-11-7-21(8-12-25,9-13-27-2)20-23-18(28-24-20)16-4-3-10-22-14-16/h3-6,10,14H,7-9,11-13H2,1-2H3

InChI Key

UGLBCFSSKHCQOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32241004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.004

Water Solubility, LogSw

-2.83

Polar Surface Area

67.171

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

SA72-1130 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA72-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-1130?
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What is the minimum amount of SA72-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-1130
  • 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 SA72-1130 available by request