SA47-0442 Screening compound: 1-{7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one

SA47-0442 Screening compound: 1-{7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
SA47-0442 Screening compound: 1-{7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0442
1-{7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-(3-phenyl-1,2-oxazol-4-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

SA47-0442

Molecular Formula

C20H24N2O4 (C20 H24 N2 O4)

Compound Name

1-{7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one

IUPAC name

1-{7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-(3-phenyl-12-oxazol-4-yl)propan-1-one

SMILES

CCC1(COC(C2)(CN2C(CCc2conc2-c2ccccc2)=O)C1)O

InChI

InChI=1S/C20H24N2O4/c1-2-19(24)11-20(25-14-19)12-22(13-20)17(23)9-8-16-10-26-21-18(16)15-6-4-3-5-7-15/h3-7,10,24H,2,8-9,11-14H2,1H3/t19-/m0/s1

InChI Key

MGLDZXCWRBERIO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32236034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-2.27

Polar Surface Area

63.596

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA47-0442 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SA47-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0442?
Check Price and Availability of SA47-0442, 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 SA47-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0442
  • 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 SA47-0442 available by request