SA66-0604 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

SA66-0604 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one
SA66-0604 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-0604
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-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

SA66-0604

Molecular Formula

C21H26N6O2 (C21 H26 N6 O2)

Compound Name

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

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-1-(3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N1CC(CCc2noc(-c3cnccc3)n2)CCC1)=O

InChI

InChI=1S/C21H26N6O2/c1-15-11-16(2)27(24-15)14-20(28)26-10-4-5-17(13-26)7-8-19-23-21(29-25-19)18-6-3-9-22-12-18/h3,6,9,11-12,17H,4-5,7-8,10,13-14H2,1-2H3/t17-/m1/s1

InChI Key

YDEIHPZJRQQJPK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32002481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

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

1.289

Distribution Coefficient, logD

1.195

Water Solubility, LogSw

-1.30

Polar Surface Area

72.214

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SA66-0604 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 SA66-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-0604?
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What is the minimum amount of SA66-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-0604
  • 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 SA66-0604 available by request