SA71-0694 Screening compound: 1-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

SA71-0694 Screening compound: 1-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
SA71-0694 Screening compound: 1-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0694
1-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethan-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

SA71-0694

Molecular Formula

C26H32N4O3 (C26 H32 N4 O3)

Compound Name

1-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

IUPAC name

1-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

SMILES

O=C(Cc1c[nH]c2c1cccc2)N(CCC1)CC1(CC1CC1)c1noc(C2CCOCC2)n1

InChI

InChI=1S/C26H32N4O3/c31-23(14-20-16-27-22-5-2-1-4-21(20)22)30-11-3-10-26(17-30,15-18-6-7-18)25-28-24(33-29-25)19-8-12-32-13-9-19/h1-2,4-5,16,18-19,27H,3,6-15,17H2/t26-/m1/s1

InChI Key

YQRYQAJSUCZSQU-AREMUKBSSA-N

MDL Number (MFCD)

MFCD32239885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

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

4.475

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.23

Polar Surface Area

65.922

Acid Dissociation Constant (pKa)

18.09

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.69

SA71-0694 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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 SA71-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0694?
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What is the minimum amount of SA71-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0694
  • 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 SA71-0694 available by request