SA46-0591 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one

SA46-0591 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
SA46-0591 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0591
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-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

SA46-0591

Molecular Formula

C19H29N3O3 (C19 H29 N3 O3)

Compound Name

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

IUPAC name

3-(35-dimethyl-12-oxazol-4-yl)-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one

SMILES

Cc1noc(C)c1CCC(N(C1)CC1(C1)OCC1N1CCCCC1)=O

InChI

InChI=1S/C19H29N3O3/c1-14-17(15(2)25-20-14)6-7-18(23)22-12-19(13-22)10-16(11-24-19)21-8-4-3-5-9-21/h16H,3-13H2,1-2H3/t16-/m1/s1

InChI Key

SACGEGGHJIBFCB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32236669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.444

Distribution Coefficient, logD

0.586

Water Solubility, LogSw

-1.47

Polar Surface Area

49.155

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

SA46-0591 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA46-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0591?
Check Price and Availability of SA46-0591, 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 SA46-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0591
  • 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 SA46-0591 available by request