SA72-1136 Screening compound: 4-{[4-(2-methoxyethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methyl}-1H-indole

SA72-1136 Screening compound: 4-{[4-(2-methoxyethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methyl}-1H-indole
SA72-1136 Screening compound: 4-{[4-(2-methoxyethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-1136
4-{[4-(2-methoxyethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methyl}-1H-indole

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

SA72-1136

Molecular Formula

C24H27N5O2 (C24 H27 N5 O2)

Compound Name

4-{[4-(2-methoxyethyl)-4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methyl}-1H-indole

IUPAC name

4-{[4-(2-methoxyethyl)-4-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]piperidin-1-yl]methyl}-1H-indole

SMILES

COCCC1(CCN(Cc2c(cc[nH]3)c3ccc2)CC1)c1noc(-c2cnccc2)n1

InChI

InChI=1S/C24H27N5O2/c1-30-15-10-24(23-27-22(31-28-23)18-5-3-11-25-16-18)8-13-29(14-9-24)17-19-4-2-6-21-20(19)7-12-26-21/h2-7,11-12,16,26H,8-10,13-15,17H2,1H3

InChI Key

BNPFTOYDRBSCRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32241007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.14

Polar Surface Area

63.018

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

SA72-1136 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 SA72-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-1136?
Check Price and Availability of SA72-1136, 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 SA72-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-1136
  • 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 SA72-1136 available by request