SA47-0500 Screening compound: 3-[(3,4-dimethylphenyl)sulfonyl]-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl)-1-propanone

SA47-0500 Screening compound: 3-[(3,4-dimethylphenyl)sulfonyl]-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl)-1-propanone
SA47-0500 Screening compound: 3-[(3,4-dimethylphenyl)sulfonyl]-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0500
3-[(3,4-dimethylphenyl)sulfonyl]-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl)-1-propanone

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

SA47-0500

Molecular Formula

C19H27NO5S (C19 H27 NO5 S)

Compound Name

3-[(3,4-dimethylphenyl)sulfonyl]-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]oct-2-yl)-1-propanone

IUPAC name

3-(34-dimethylbenzenesulfonyl)-1-{7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl}propan-1-one

SMILES

CCC1(COC(C2)(CN2C(CCS(c2cc(C)c(C)cc2)(=O)=O)=O)C1)O

InChI

InChI=1S/C19H27NO5S/c1-4-18(22)10-19(25-13-18)11-20(12-19)17(21)7-8-26(23,24)16-6-5-14(2)15(3)9-16/h5-6,9,22H,4,7-8,10-13H2,1-3H3/t18-/m0/s1

InChI Key

AWFXJLNEAQFTHN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32237731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.763

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-2.38

Polar Surface Area

68.632

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SA47-0500 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with SA47-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0500?
Check Price and Availability of SA47-0500, 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 SA47-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0500
  • 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 SA47-0500 available by request