SA46-0179 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one

SA46-0179 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one
SA46-0179 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0179
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-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

SA46-0179

Molecular Formula

C17H25N3O3 (C17 H25 N3 O3)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethan-1-one

SMILES

Cc1noc(C)c1CC(N(C1)CC1(C1)OCC1N1CCCC1)=O

InChI

InChI=1S/C17H25N3O3/c1-12-15(13(2)23-18-12)7-16(21)20-10-17(11-20)8-14(9-22-17)19-5-3-4-6-19/h14H,3-11H2,1-2H3/t14-/m1/s1

InChI Key

WPRGOIIAWBKTSJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32236386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.915

Distribution Coefficient, logD

-0.340

Water Solubility, LogSw

-0.88

Polar Surface Area

49.521

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

SA46-0179 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with SA46-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0179?
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What is the minimum amount of SA46-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0179
  • 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 SA46-0179 available by request