SA49-1516 Screening compound: 2-(2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-yl)-1-(morpholin-4-yl)ethan-1-one

SA49-1516 Screening compound: 2-(2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-yl)-1-(morpholin-4-yl)ethan-1-one
SA49-1516 Screening compound: 2-(2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-yl)-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-1516
2-(2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-yl)-1-(morpholin-4-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

SA49-1516

Molecular Formula

C23H29N3O6 (C23 H29 N3 O6)

Compound Name

2-(2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-yl)-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-(2-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-yl)-1-(morpholin-4-yl)ethan-1-one

SMILES

Cc1noc(C)c1Cc1ccc(C(N(C2)CC22OCC(CC(N3CCOCC3)=O)C2)=O)o1

InChI

InChI=1S/C23H29N3O6/c1-15-19(16(2)32-24-15)10-18-3-4-20(31-18)22(28)26-13-23(14-26)11-17(12-30-23)9-21(27)25-5-7-29-8-6-25/h3-4,17H,5-14H2,1-2H3/t17-/m1/s1

InChI Key

PTPGTDJEWPZHSO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32237753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.570

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-1.94

Polar Surface Area

78.188

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

SA49-1516 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA49-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-1516?
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What is the minimum amount of SA49-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-1516
  • 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 SA49-1516 available by request