SA66-0849 Screening compound: 3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)propan-1-one

SA66-0849 Screening compound: 3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)propan-1-one
SA66-0849 Screening compound: 3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-0849
3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)propan-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

SA66-0849

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)propan-1-one

IUPAC name

3-(4-methoxyphenyl)-1-(3-{2-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]ethyl}piperidin-1-yl)propan-1-one

SMILES

COc1ccc(CCC(N2CC(CCc3noc(-c4ncccc4)n3)CCC2)=O)cc1

InChI

InChI=1S/C24H28N4O3/c1-30-20-11-7-18(8-12-20)10-14-23(29)28-16-4-5-19(17-28)9-13-22-26-24(31-27-22)21-6-2-3-15-25-21/h2-3,6-8,11-12,15,19H,4-5,9-10,13-14,16-17H2,1H3/t19-/m1/s1

InChI Key

HPDLJSXJUBLROV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32001863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-3.90

Polar Surface Area

65.281

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SA66-0849 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA66-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-0849?
Check Price and Availability of SA66-0849, 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 SA66-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-0849
  • 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 SA66-0849 available by request