S369-0653 Screening compound: 2-(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)-6-(4-METHYLPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]OXAZINE

S369-0653 Screening compound: 2-(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)-6-(4-METHYLPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]OXAZINE
S369-0653 Screening compound: 2-(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)-6-(4-METHYLPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]OXAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S369-0653
2-(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)-6-(4-METHYLPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]OXAZINE

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

S369-0653

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

2-(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)-6-(4-METHYLPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]OXAZINE

IUPAC name

n/a

SMILES

Cc1ccc(C2OCc3cc(-c4nc(C5CCCCC5)no4)nn3C2)cc1

InChI

InChI=1S/C21H24N4O2/c1-14-7-9-15(10-8-14)19-12-25-17(13-26-19)11-18(23-25)21-22-20(24-27-21)16-5-3-2-4-6-16/h7-11,16,19H,2-6,12-13H2,1H3/t19-/m0/s1

InChI Key

HHEBWGFQLNAIMR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29032732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.512

Water Solubility, LogSw

-4.39

Polar Surface Area

53.580

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

S369-0653 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S369-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S369-0653?
Check Price and Availability of S369-0653, 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 S369-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S369-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S369-0653
  • 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 S369-0653 available by request