SA47-0693 Screening compound: (7-butyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl){5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

SA47-0693 Screening compound: (7-butyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl){5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone
SA47-0693 Screening compound: (7-butyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl){5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0693
(7-butyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl){5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}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

SA47-0693

Molecular Formula

C21H28N2O5 (C21 H28 N2 O5)

Compound Name

(7-butyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl){5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

IUPAC name

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

SMILES

CCCCC1(COC(C2)(CN2C(c2ccc(Cc3c(C)onc3C)o2)=O)C1)O

InChI

InChI=1S/C21H28N2O5/c1-4-5-8-20(25)10-21(26-13-20)11-23(12-21)19(24)18-7-6-16(27-18)9-17-14(2)22-28-15(17)3/h6-7,25H,4-5,8-13H2,1-3H3/t20-/m0/s1

InChI Key

GYBSGVWBLUXJRM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32237945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-2.96

Polar Surface Area

69.731

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA47-0693 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
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 SA47-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0693?
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What is the minimum amount of SA47-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0693
  • 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 SA47-0693 available by request