SA71-0729 Screening compound: 6-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]quinoline

SA71-0729 Screening compound: 6-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]quinoline
SA71-0729 Screening compound: 6-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0729
6-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]quinoline

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

SA71-0729

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

6-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]quinoline

IUPAC name

6-[3-(cyclopropylmethyl)-3-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidine-1-carbonyl]quinoline

SMILES

O=C(c1cc2cccnc2cc1)N(CCC1)CC1(CC1CC1)c1noc(C2CCOCC2)n1

InChI

InChI=1S/C26H30N4O3/c31-24(21-6-7-22-20(15-21)3-1-11-27-22)30-12-2-10-26(17-30,16-18-4-5-18)25-28-23(33-29-25)19-8-13-32-14-9-19/h1,3,6-7,11,15,18-19H,2,4-5,8-10,12-14,16-17H2/t26-/m1/s1

InChI Key

KHUSSLJPRXFAAP-AREMUKBSSA-N

MDL Number (MFCD)

MFCD32240100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-3.83

Polar Surface Area

65.341

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

SA71-0729 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with SA71-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0729?
Check Price and Availability of SA71-0729, 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 SA71-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0729
  • 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 SA71-0729 available by request