SA66-1113 Screening compound: 1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)-2-(1H-pyrazol-1-yl)ethan-1-one

SA66-1113 Screening compound: 1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)-2-(1H-pyrazol-1-yl)ethan-1-one
SA66-1113 Screening compound: 1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)-2-(1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-1113
1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)-2-(1H-pyrazol-1-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

SA66-1113

Molecular Formula

C19H27N5O3 (C19 H27 N5 O3)

Compound Name

1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)-2-(1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-(3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethyl}piperidin-1-yl)-2-(1H-pyrazol-1-yl)ethan-1-one

SMILES

O=C(Cn1nccc1)N1CC(CCc2noc(C3CCOCC3)n2)CCC1

InChI

InChI=1S/C19H27N5O3/c25-18(14-24-10-2-8-20-24)23-9-1-3-15(13-23)4-5-17-21-19(27-22-17)16-6-11-26-12-7-16/h2,8,10,15-16H,1,3-7,9,11-14H2/t15-/m1/s1

InChI Key

AWZDLCVBTYPFPV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32001398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.651

Distribution Coefficient, logD

1.651

Water Solubility, LogSw

-1.66

Polar Surface Area

71.584

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

SA66-1113 in Drug Discovery

Included in Screening Libraries

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 SA66-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-1113?
Check Price and Availability of SA66-1113, 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 SA66-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-1113
  • 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 SA66-1113 available by request