SA47-0197 Screening compound: {4-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHOXY]PHENYL}(7-HYDROXY-7-METHYL-5-OXA-2-AZASPIRO[3.4]OCT-2-YL)METHANONE

SA47-0197 Screening compound: {4-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHOXY]PHENYL}(7-HYDROXY-7-METHYL-5-OXA-2-AZASPIRO[3.4]OCT-2-YL)METHANONE
SA47-0197 Screening compound: {4-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHOXY]PHENYL}(7-HYDROXY-7-METHYL-5-OXA-2-AZASPIRO[3.4]OCT-2-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0197
{4-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHOXY]PHENYL}(7-HYDROXY-7-METHYL-5-OXA-2-AZASPIRO[3.4]OCT-2-YL)METHANONE

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

SA47-0197

Molecular Formula

C20H24N2O5 (C20 H24 N2 O5)

Compound Name

{4-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHOXY]PHENYL}(7-HYDROXY-7-METHYL-5-OXA-2-AZASPIRO[3.4]OCT-2-YL)METHANONE

IUPAC name

2-{4-[(35-dimethyl-12-oxazol-4-yl)methoxy]benzoyl}-7-methyl-5-oxa-2-azaspiro[3.4]octan-7-ol

SMILES

CC1(COC(C2)(CN2C(c(cc2)ccc2OCc2c(C)onc2C)=O)C1)O

InChI

InChI=1S/C20H24N2O5/c1-13-17(14(2)27-21-13)8-25-16-6-4-15(5-7-16)18(23)22-10-20(11-22)9-19(3,24)12-26-20/h4-7,24H,8-12H2,1-3H3/t19-/m0/s1

InChI Key

YPYJIFHMPCVPLL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32237272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.618

Distribution Coefficient, logD

1.618

Water Solubility, LogSw

-1.95

Polar Surface Area

69.248

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA47-0197 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA47-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0197?
Check Price and Availability of SA47-0197, 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 SA47-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0197
  • 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 SA47-0197 available by request