SA65-1139 Screening compound: 5-[(4-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)methyl]-1H-indole

SA65-1139 Screening compound: 5-[(4-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)methyl]-1H-indole
SA65-1139 Screening compound: 5-[(4-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA65-1139
5-[(4-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}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

SA65-1139

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

C(Cc1noc(C2CCOCC2)n1)C1CCN(Cc(cc2)cc3c2[nH]cc3)CC1

InChI

InChI=1S/C23H30N4O2/c1-3-21-20(5-10-24-21)15-18(1)16-27-11-6-17(7-12-27)2-4-22-25-23(29-26-22)19-8-13-28-14-9-19/h1,3,5,10,15,17,19,24H,2,4,6-9,11-14,16H2

InChI Key

RSOXVWASHGWCSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32002583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-4.18

Polar Surface Area

54.249

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

SA65-1139 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SA65-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA65-1139?
Check Price and Availability of SA65-1139, 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 SA65-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA65-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA65-1139
  • 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 SA65-1139 available by request