SA49-0371 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethan-1-one

SA49-0371 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethan-1-one
SA49-0371 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0371
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

SA49-0371

Molecular Formula

C19H27N3O4 (C19 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1CC(N(C1)CC11OCC(CC(N2CCCC2)=O)C1)=O

InChI

InChI=1S/C19H27N3O4/c1-13-16(14(2)26-20-13)8-18(24)22-11-19(12-22)9-15(10-25-19)7-17(23)21-5-3-4-6-21/h15H,3-12H2,1-2H3/t15-/m0/s1

InChI Key

OUPTZJDJDXYJMH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32238235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.323

Distribution Coefficient, logD

1.323

Water Solubility, LogSw

-1.30

Polar Surface Area

62.548

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SA49-0371 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)

Soluble Diversity Library (15920 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 SA49-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0371?
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What is the minimum amount of SA49-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0371
  • 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 SA49-0371 available by request