SA47-0461 Screening compound: 2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-7-ethyl-5-oxa-2-azaspiro[3.4]octan-7-ol

SA47-0461 Screening compound: 2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-7-ethyl-5-oxa-2-azaspiro[3.4]octan-7-ol
SA47-0461 Screening compound: 2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-7-ethyl-5-oxa-2-azaspiro[3.4]octan-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0461
2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-7-ethyl-5-oxa-2-azaspiro[3.4]octan-7-ol

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

SA47-0461

Molecular Formula

C19H24N2O5 (C19 H24 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC1(COC(C2)(CN2C(c2ccc(Cc3c(C)onc3C)o2)=O)C1)O

InChI

InChI=1S/C19H24N2O5/c1-4-18(23)8-19(24-11-18)9-21(10-19)17(22)16-6-5-14(25-16)7-15-12(2)20-26-13(15)3/h5-6,23H,4,7-11H2,1-3H3/t18-/m0/s1

InChI Key

AKJHSJSLTYCCCM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32236037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

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

2.034

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-2.13

Polar Surface Area

69.731

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SA47-0461 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 SA47-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0461?
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What is the minimum amount of SA47-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0461
  • 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 SA47-0461 available by request